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University at Buffalo Libraries

Spectra & Spectral Data


* Indicates actual spectra

Guide to Reference Sources

Print sources are located in the Science & Engineering Information Center on the 2nd floor of the Silverman Library in Capen Hall and are listed with their Library of Congress call numbers.


General Sources

* Atlas of spectral data and physical constants for organic compounds
2d ed. Cleveland: CRC Press,
Silverman (Capen) Reference QD257.7 .G7 1975 v.1-v.6
Tabular condensation of spectral data from numerous published collections. Vol. 1 contains name/synonym directory, structures, and spectroscopic aids; Vols. 2-4 contain data tables; vols. 5-6 have indexes of molecular weight, physical constants, WLNs, mass spectra, Raman, etc.

* ChemSpider (Royal Society of Chemistry)

http://www.chemspider.com/
ChemSpider extracts a wide range of information about chemicals and materials by crawling the Internet. The Spectra heading may contain a wide range of spectra: IR, HNMR, C13 NMR, UV-Vis, electron impact, and mass spectra. As an open source database, scientists throughout the world can upload additional spectra. The Data Sources heading provides a rich set of physical, biological, metabolic, toxicology, environmental data in addition to spectral and more safety data. The Properties heading provides basic property and safety information. ChemSpider can be searched by names, substructures, CAS registry numbers, and InChI identifiers.

CRC Handbook of Data on Organic Compounds
Silverman (Capen) Reference QD257.7 .C73 1985 v. 1-2
Major data collection of names, synonyms, structures, formulas, physical constants, spectral data references: (IR, Raman, NMR, UV, Mass) CAS Registry Numbers, Beilstein references.

Dictionary of organic compounds
London : Chapman & Hall
Silverman (Capen) Reference QD251.D49 1982
Published in 5 volumes and 10 supplements. References to the literature only.

Dictionary of spectroscopy / R.C. Denney
2nd ed. New York: Wiley, c1982
Silverman (Capen) Book Collection QC450.3 .D46 1982
Brief explanations of terms most frequently used.

Encyclopedia of analytical chemistry: applications, theory, and instrumentation / Robert A. Meyers. New York: Wiley, 2000.
Silverman (Capen) Reference QD71.5.E52 2000
Extensive review chapters. Vol. 1-10 has chapters by type of substance (i.e. pesticides). Vol. 11-15 has chapters by analytical technique.

Encyclopedia of spectroscopy / Heinz-Helmut Perkampus
Weinheim; New York: VCH, 1995.
Silverman (Capen) Reference QC450.3 .P47 1995
General illustrated definitions of concepts and techniques

Handbook of spectroscopy
Cleveland: CRC Press, c1974.
SCI/ENGR Book Collection QD95 .H27 v.1-2.
Tables of data and references of available data in various fields of spectroscopy. Each volume is indexed separately.

* KnowItAll Informatics System Academic Edition
Free download at: http://www.knowitall.com/academic. Free software package includes applications for drawing 3D structures, creating reports with imported structures and spectra, processing of NMR, IR, and Raman spectra, predicting and simulating proton NMR spectra, analyzing functional groups, symmetry, and point groups, and accessing the Sadtler Handbook of Infrared Spectroscopy .

Molecular spectra and molecular structure / Gerhard Herzberg
SCI/ENGR Book Collection QC451 .H379 v.1-4.
Classic treatise.

* NIST Chemistry Webbook
http://webbook.nist.gov/chemistry/
IR spectra for over 7500 compounds, Mass spectra for over 10,000 compounds, UV/Vis spectra for over 400 compounds, Electronic and vibrational spectra for over 3000 compounds.

* Sadtler collections
Various locations in print on the Silverman SCI/ENGR (Capen) Periodical Shelves in QC 450's range on the 3rd floor and on 16mm microfilm in the Capen Multimedia Center on the 2nd floor in LC call number areas QC (Physics) and QD (Chemistry).  Check the UB Libraries Catalog by searching sadtler and spectra. All indexes are in print format and filed in Silverman SCI/ENGR Book Collection QC453.S27. Print spectra and indexes are housed in green bound volumes or loose leaf binders.

Sadtler is our most extensive set of actual spectra covering IR, FTIR, NMR, C-13 NMR, DTA, ATR IR, and UV. There are alphabetical, molecular formula, chemical class, and chemical weight indexes, and supplements. Each collection is listed separately in this guide under the appropriate heading(s).

* SDBS Integrated Spectral Data Base System for Organic Compounds 

Note: Ignore message about the new URL unless you want the Japanese language version.

Downloadable spectra ; Compound Dictionary (30,000 compounds);
MS (ca 19,600 spectra); 13C NMR (ca 11,000 spectra);
1H NMR (ca 13,500 spectra); ESR (ca 2,000 spectra);
IR (ca 47,300 spectra); Raman (ca 3,500 spectra)

* Sigma-Aldrich On-line Product Catalog
http://www.sigmaaldrich.com/Area_of_Interest/The_Americas/United_States.html
Provides FT-NMR, FT-IR, and FT-Raman IR for many of their products.

Spectrometric identification of organic compounds / Robert M. Silverstein
6th ed. New York: Wiley, 1998.
SCI/ENGR Book Collection QD272 .S6 S55 1998
Basic text. Older editions back to 1967 also available, but may be checked out.

Tables of spectral data for structure determination of organic compounds
Berlin; New York: Springer-Verlag, c1989
SCI/ENGR Book Collection QC462.85 .T313 1989
Covers C-13 NMR, Proton NMR, IR, Mass, and UV/Vis spectra.

Thermodynamic Research Center (TRC) Selected Spectral Data and API-44 spectra [a special project of the TRC for the American Petroleum Institute (API)] include substances that are principally hydrocarbons and their oxygen, halogen, sulfur and nitrogen derivatives. The set, filed in various places in the Silverman (Capen) Library SCI/ENGR Periodicals collection, includes IR, Mass, Raman, UV, proton NMR, and C-13 NMR spectra. The NMR collections also contain data covering silicon substances. A few organometallic and organophosphorus compounds are included. Use the electronic TRC Comprehensive Index CD-ROM workstation in Reference area to determine if a compound is covered in the TRC or API-44 spectral collections.

* USGS Digital Spectral Library
http://speclab.cr.usgs.gov/spectral-lib.html
Contains 800+ UV/Near-IR spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation.


Atomic & Microwave Spectra

* Atomic Spectra Database (ASD) [NIST]
http://physics.nist.gov/cgi-bin/AtData/main_asd
Radiative transitions and energy levels in atoms and atomic ions for observed transitions of 99 elements and energy levels of 52 elements.

* Diatomic Spectral Database [NIST]
http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html
All of the rotational spectral lines observed and reported in the open literature for 121 diatomic molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty, and reference are given for each transition reported.

Handbook of Basic Atomic Spectroscopic Data [NIST]
http://physics.nist.gov/PhysRefData/Handbook/index.html
The compilation includes data for the neutral and singly-ionized atoms of all elements hydrogen through einsteinium (Z = 1-99). The wavelengths, intensities, and spectrum assignments are given in a table for each element, and the data for the approximately 12,000 lines of all elements are also collected into a single table, sorted by wavelength (a "finding list").

Microwave Molecular Spectra, 3rd ed. (UB Knovel Subscription)    Extensive descriptive information, theory, and examples.

MIT wavelength tables.
Cambridge, Mass. : M.I.T. Press, -c1982 2 v.
Silverman (Capen) Reference QC453 .M36 1969
Intensities in arc, spark, or discharge tube of more than 100,000 spectrum lines most strongly emitted by the atomic elements under normal conditions of excitation between 10,000 A. and 2000 A., arranged in order of decreasing wavelengths

* Triatomic Spectral Database [NIST]
http://physics.nist.gov/PhysRefData/MolSpec/Triatomic/index.html
All of the rotational spectral lines observed and reported in the open literature for 55 triatomic molecules have been tabulated. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported.


Differential Thermal Analysis (DTA)

* Sadtler DTA STANDARD Spectra
2,000 DTA (differential thermal analysis) spectra (#D1-#D2,000)
Capen Multimedia Center Microform Area QD079.T38
Print Index: Silverman (Capen) Periodicals QC453.S28 Total Spectra Index [1976]

* Sadtler DTA Polymers COMMERCIAL Spectra
700 DTA (differential thermal analysis) spectra (#D1-#D700)
Capen Multimedia Center Microform Area QC457.S34 Reel 4
Print Index: Silverman (Capen) Periodicals QC453.S27 General Index [1966]


Infrared Spectra (IR) (See also Spectra by Compound Class Listings)

* Aldrich library of FT-IR spectra / Charles J. Pouchert
Milwaukee, Wis. : Aldrich Chemical Co., c1985. 2 v
Silverman (Capen) Reference QD96.I5 P66 1985
Condensed phase IR spectra, arranged by chemical class and complexity. Indexes by name, molecular formula, & CAS registry number. 11,000 compounds.

* Aldrich library of infrared spectra / Charles J. Pouchert
2d ed. Milwaukee : Aldrich Chemical Co., c1975.
Silverman (Capen) Reference QC457 .P65 1975
Alphabetical and MF indexes

* API-44 Selected infrared spectral data. Tables
Washington, D.C.: American Petroleum Institute Research Project 44
Silverman (Capen) Reference QD856 .S5 T728 serial no.1-serial no.3650

* Atlas of polymer and plastics analysis
Munich; Hanser; Weinheim; Deerfield Beach, FL: Verlag Chemie, 1978-
Silverman (Capen) Reference QD139 .P6 H8 1978
Primarily infrared spectra.

Characteristic frequencies of chemical groups in the infra- red.
Amsterdam, New York, Elsevier Pub. Co., 1963.
SCI/ENGR Book Collection QC457 .F53

* Coblentz Society desk book of infrared spectra
2nd ed. Kirkwood, MO (P.O. Box 9952, Kirkwood 63122) : The Society, 1982, c1977
Silverman (Capen) Reference QC457 .C687 1982
IR grating spectra of 1700 compounds.

* Coblentz Society Infrared Spectra Collection (Sadtler)
10,000 IR prism & grating spectra (#1-#10,000)
Capen Multimedia Center Microform Area QC457.S34 Reel 2
Print Index: Silverman (Capen) Reference QC453.S28 Total Spectra Index [1976]

* Handbook of infrared and Raman spectra of inorganic compounds and organic salts
San Diego : Academic Press, c1997. V.1-4
Silverman (Capen) Reference QC457 .N93 1997

Index of vibrational spectra of inorganic and organometallic compounds
London, Butterworths, 1972-
Silverman (Capen) Reference QC453 .G742 v.3.
25,000 compounds, IR and Raman, spectra not included

* Infrared (2.1-25 um) spectra of minerals / John W. Salisbury
Baltimore : John Hopkins University Press, 1991.
Silverman (Capen) Reference QE369 .S65 I538 1991

Infrared absorption spectra; index.
New York : Academic Press
1945/57-1958/62
SCI/ENGR Book Collection Z7144.S7 I6
36,000 references for organic and inorganic compounds, chemical substance index, spectra not included.

Infrared and Raman spectra of inorganic and coordination compounds
New York : Wiley, c1997. 5th ed.
SCI/ENGR Book Collection QD96.I5 N33 1997 Parts A&B

Infrared band handbook
New York, Plenum Press, 1963.
Silverman (Capen) Reference QC457 .S98 1963
27,000 bands, spectra not included

Infrared and Raman characteristic group frequencies: tables and charts
Chichester : J. Wiley, 3rd ed., 2001.
Silverman (Capen) Reference QC457... - On order as of 9/9/2004.

* Infrared spectra and characteristic frequencies 700-300 cm-1
New York, Interscience
Silverman (Capen) Reference QC457 .B49 1968
collection of 1566 organic and inorganic spectra, interpretation, and bibliography

* Infrared spectra handbook of priority pollutants and toxic chemicals
Philadelphia, Pa. : Sadtler Research Laboratories, c1982.
Silverman (Capen) Reference QC457 .I527 1982

* Interpreted infrared spectra
New York, Plenum Press, 1964-
SCI/ENGR Book Collection QD95 .S97 v.1-v.3

* MCA Selected infrared spectral data.
Pittsburgh : Manufacturing Chemists' Association Research Project
Silverman (Capen) Reference QD85 .S5 T729 serial no.1 (1959:Dec.31)-serial no.1530 (1983:June 30)

* Merck FT-IR Atlas : eine Sammlung von FT-IR Spektren = a collection of FT-IR spectra
Weinheim (Federal Republic of Germany) ; New York : VCH, c1987-
Silverman (Capen) Reference QC457 .M473 1988

* Rapra Collection of Infrared Spectra of Rubbers, Plastics, and Thermoplastic Elastomers (3rd Edition) (UB Knovel Subscription)
Silverman (Capen) Reference QC463 .P5.S53 1997 (2nd Edition)
Transmission and pyrolysate spectra of a comprehensive range of technically important rubber and plastic materials.

* Sadtler infrared grating STANDARD spectra
2-15 microns. 90,977 spectra (#1K-#90,977K)
Capen Multimedia Center Microform Area: QC457.S3
Print Indexes: Silverman (Capen) SCI/ENGR Periodicals QC453.S28....

* Sadtler infrared prism STANDARD spectra
2-15 microns 49,000 IR prism spectra
Capen Multimedia Center Microform Area: QC457.S328 (#1-#37,000)
Silverman (Capen) Reference QC453 S28 Infrared Prism. Vol. 37-48 (#37,001-#49,000)
Print Indexes: Silverman (Capen) SCI/ENGR Periodicals QC453.S28....

Tables of molecular vibrational frequencies. Consolidated Volume 1.
Washington, National Bureau of Standards; U.S. Govt. Print. Off.,1972.
SCI/ENGR Book Collection QC100 .U573 no.39
Supersedes Tables of molecular vibrational frequencies , NSRDS-NBS-6, part 1; NSRDS-NBS-11, part 2; and NSRDS-NBS-17, part 3.

* Tabulation of infrared spectral data
New York : Wiley, c1977.
Silverman (Capen) Reference QC457 .D64

* TRC Spectral Data - Infrared
College Station, Tex: Thermodynamics Research Center, Texas A & M University System, 1985-
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T73 v.1-v.6


Mass Spectra (MS)

* API-44 Selected mass spectral data. Tables
Washington, D.C. : National Bureau of Standards
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T758 1976-1983

* Handbook of mass spectra of environmental contaminants
2nd ed. Boca Raton : Lewis Publishers, c1992.
Silverman (Capen) ReferenceTD193 .H57 1992

* EPA/NIH mass spectral data base
: U.S. Dept. of Commerce, National Bureau of Standards, GPO, 1978-
Silverman (Capen) Reference QC100 .U573 no.63 V.1-5
Supplements are on microfiche SCI/ENGR Microform Area US MicFiche C 13.48: 63
Data are entered by increasing molecular weight.

* Ion mass spectra
New York, Wiley
SCI/ENGR Book Collection QC454.M3 W54

MassSpectator Online Calculator (NIST)
http://www.ctcms.nist.gov/%7Ewallace/MassSpectator_intro.html
Calculates the area beneath peaks from mass spectra

Mass spectral correlations
Washington, D.C. : American Chemical Society, 1982.
SCI/ENGR Book Collection QD1 .A355 NO.40

Selected mass spectral data.
Pittsburgh : Carnegie Institute of Technology
Silverman (Capen) Reference QD85 .S5 T759 v.1-v.2

* TRC spectral data - Mass
College Station, Tex: Thermodynamics Research Center, Texas A & M University System, 1985-
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T76 v.1-v.5

* Wiley/NBS registry of mass spectral data
New York : Wiley, c1989.
Silverman (Capen) Reference QC454.M3 M395 1989. V. 1-7.
A combination of the revisions of the following two books and their data base versions: Registry of mass spectral data by Einar Stenhagen, Sixten Abrahamsson, and Fred W. McLafferty; and
EPA/NIH mass spectral data base by S.R. Heller and G.W.A. Milne; and its two supplements
This edition is a little hard on the eyes, but contains more spectra.


NMR Spectra -Proton (See also Spectra by Compound Class Listings)

* Aldrich library of NMR spectra
Ed. 2. Milwaukee, Wis. (P.O. Box 355, Milwaukee 53201) : Aldrich Chemical Co., c1983. 2 v.
Silverman (Capen) Reference QD96.N8 P68 1983
37,000 spectra indexed by name, molecular formula.

* Aldrich library of 13C and 1H FT NMR spectra
Milwaukee, Wis. : Aldrich Chemical Co., c1993. 3 v.
Silverman (Capen) Reference QC454.F7 A4 1993
12,000 compounds, indexed by name, molecular formula, CAS reg. no

Annual Reports on NMR Spectroscopy
London; New York : Academic Press, 1968+
SCI/ENGR Book Collection QC762.A46

* API-44 Selected nuclear magnetic resonance spectral data. 100 MHz
Thermodynamics Research Center API44 Hydrocarbon Project.
College Station, Texas : Thermodynamics Research Center, Texas
Engineering Experiment Station, Texas A&M University
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T768b serial no.1 (1968:April 30)-serial no.464 (1982:April 30)

Handbook of NMR spectral parameters : tabulated high resolution chemical shifts and coupling constants for organic compounds according to spin system
London : Philadelphia : Heyden, c1979
Silverman (Capen) Reference QC490 .B82 v.1-3

Handy and systematic catalog of NMR spectra : instruction through examples
Mill Valley, Calif. : University Science Books, c1980.
Silverman (Capen) Reference QC762 .A94

NMR data on organic metal carbonyl complexes (1965-71) / P.W. Hickmott
Annual reports on NMR spectroscopy v. 6c, 1977.
SCI/ENGR Book Collection QC762 .A46
3000 compounds, by metal complex, then by ligands.

NMR data tables for organic compounds
New York, Interscience SCI/ENGR Book Collection QC762 .B6 v.1

* NMRShiftDB
http://www.nmrshiftdb.org
Freely available content. Allows for spectrum prediction (currently only for carbon) as well as for searching spectra, structures and other properties. Currently, 13C, 1H, 15N and 31P NMR shift data can be stored.

* NMR spectra catalog
1962-63. 2 v.
Silverman (Capen) Reference QC762 .V27
chiefly tables, 700 charts.

Nuclear magnetic resonance spectra and chemical structure
v. 1. The spectral NMR parameters of compounds with analyzed spectra.
New York, Academic Press, 1967-
Silverman (Capen) Reference QD476 .B78 (88 by compound name)

* Sadtler guide to NMR spectra
Philadelphia, Sadtler Research Laboratories, 1972.
Silverman (Capen) Reference QC490 .S55

* Sadtler Nuclear magnetic resonance STANDARD Spectra (60 MHz)
64,000 60-MHz spectra (#1M-#64,000M)
Capen Multimedia Center Microform Area QC451.S2
Print Indexes: Silverman (Capen) SCI/ENGR Periodicals QC453.S28....

* Sadtler Nuclear magnetic resonance STANDARD Spectra (100 MHz)
228 100-MHz spectra (#1Z-#228Z)
Silverman (Capen) SCI/ENGR Periodicals QC451.S28 Standard NMR Supplement.. 1 vol.
Index in binder with spectra.

* Sadtler Nuclear magnetic resonance STANDARD Spectra (300 MHz)
4,000 300-MHz spectra (#H1B-#H4,000B)
Capen Multimedia Center Microform Area QC762.S33
Print Indexes:
Silverman (Capen) Reference QC453.S28....

* TRC Selected nuclear magnetic resonance spectral data. 100 MHz
Thermodynamics Research Center Data Project.
College Station, Texas : Thermodynamics Research Center, Texas
Engineering Experiment Station, Texas A&M University
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T768a Serial no.1 (1968:Dec.31)-serial no.735 (1982:Dec.31)

* TRC Selected nuclear magnetic resonance spectral data. 300 MHz
Thermodynamics Research Center Data Project.
College Station, Texas : Thermodynamics Research Center, Texas
Engineering Experiment Station, Texas A&M University
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T769 serial no.1 (1975:Dec.31)-serial no.345 (1984:Nov.30)

* TRC spectral data. ¹H NMR
College Station, Tex: Thermodynamics Research Center, Texas A & M University System, 1985-
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T77 v.1-v.5


NMR Spectra (Elements other than Hydrogen) [See also Biomolecules]

* Aldrich library of 13C and 1H FT NMR spectra
Milwaukee, Wis. : Aldrich Chemical Co., c1993. 3 v.
Silverman (Capen) Reference QC454.F7 A4 1993
12,000 compounds, indexed by name, molecular formula, CAS registry number.

Annual Reports on NMR Spectroscopy
London; New York : Academic Press, 1968+
SCI/ENGR Book Collection QC762.A46

* API-44 Selected ¹³C nuclear magnetic resonance spectral data.
[S.l.] : American Petroleum Institute Research Project 44
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T778 1976-1984. V. 1-3.

Atlas of carbon-13 NMR data
London ; Philadelphia : Heyden, 1979 3 v.
Silverman (Capen) Reference QC462.C1 B73 1979
NMR data compiled from the literature (3000 )

* Carbon-13 NMR spectra; a collection of assigned, coded and indexed spectra
New York, Wiley-Interscience
500 spectra
Silverman (Capen) Reference QC462.C4 J64

Compilation of reported F 19 NMR chemical shifts, 1951 to mid-1967
New York, Wiley-Interscience
4,700 F-19 NMR data
SCI/ENGR Book Collection QC462.F5 D8 1970

Fluorine-19 NMR spectroscopy / V. Wray
Annual reports on NMR spectroscopy
v. 10b 1980
6,000 F-19 NMR data
SCI/ENGR Book Collection QC762 .A46

* NMRShiftDB
http://www.nmrshiftdb.org
Freely available content. Allows for spectrum prediction (currently only for carbon) as well as for searching spectra, structures and other properties. Currently, 13C, 1H, 15N and 31P NMR shift data can be stored.

* Sadtler C-13 NMR STANDARD spectra
39,000 spectra (#1C-#39,000C)
Capen Multimedia Center Microform Area: QC462.C4
Print Indexes: Silverman (Capen) SCI/ENGR Periodicals QC453.S28....

* TRC spectral data. 13C NMR
College Station, Tex: Thermodynamics Research Center, Texas A & M University System, 1985-
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T78 v.1-v.4


Raman Spectra

* FDM Raman Spectra of Organic Compounds ( 598 Spectra )  http://www.fdmspectra.com/fdm_raman_organics.htm

* FDM Raman Spectra of USP Pharmaceuticals (253 Spectra) http://www.fdmspectra.com/fdm_raman_usp_pharmaceuticals.htm

* Handbook of infrared and Raman spectra of inorganic compounds and organic salts
San Diego : Academic Press, c1997. V.1-4
Silverman (Capen) Reference QC457 .N93 1997

Infrared and Raman spectra of inorganic and coordination compounds
New York : Wiley, c1986. 4th ed.
SCI/ENGR Book Collection QD96.I5 N33 1986

* MCA Selected Raman spectral data.
Pittsburgh : Manufacturing Chemists' Association Research
Project, Carnegie Institute of Technology
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T788 serial no.1-serial no.113

* Selected Raman spectral data.
Washington, D.C. : National Bureau of Standards
Silverman (Capen) Reference QD85 .S5 T789 serial no.1-serial no.935

* TRC spectral data - Raman.
College Station, Tex: Thermodynamics Research Center, Texas A & M University System, 1985-
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T79 v.1-v.4


Ultraviolet and Visible Spectra

* Absorption spectra in the ultraviolet and visible region.
New York, Academic Press 1959-
SCI/ENGR Book Collection QC437 .L26 v.1-23
Indexes for each volume, and cumulative.

* API-44 Selected ultraviolet spectral data. Tables
Pittsburgh : Carnegie Institute of Technology
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T738 1975-1985. V. 1-4.

* Atlas of protein spectra in the ultraviolet and visible regions.
New York, IFI/Plenum, 1972-
SCI/ENGR Book Collection QC463.P7 K5 v.1

Handbook of Ultraviolet and Visible Absorption Spectra of Organic Compounds
New York : Plenum Press Data Division, 1967
SCI/ENGR Book Collection QD291.H5

* MCA Selected ultraviolet spectral data.
Pittsburgh : Manufacturing Chemists' Association
Silverman (Capen) Reference QD85 .S5 T739 vol. 1

Organic electronic spectral data.
New York : Wiley & Sons 1946/52-
Silverman (Capen) Reference QC437.O73, v.1 (1946/1952)-v.9 (1967), v.24 (1982)
Data abstracted from the journal literature for each year, which see. (references)

* Sadtler Ultraviolet STANDARD Spectra
23,278 spectra (#1UV-#23,278UV)
Silverman (Capen) Reference QC453 S28 Standard UV. Vol. 1-86
Print Indexes:
Silverman (Capen) SCI/ENGR Periodicals QC453.S28....

* TRC spectral data - Ultraviolet
College Station, Tex: Thermodynamics Research Center, Texas A & M University System, 1985-
Silverman (Capen) SCI/ENGR Periodicals QD85 .S5 T74 v.1-v.5

Ultraviolet and visible absorption spectra. Index.
New York, Academic Press. 1930/54-
SCI/ENGR Book Collection Z7144.S7 H4 1930/1954 - 1960/1963

Ultraviolet multiplet table / Moore
Washington, DC: U.S. Govt. Print. Off., 1950-
SCI/ENGR Book Collection QC100 .U555 no.488

* UV atlas of organic compounds
London: Butterworths, 1966-
Silverman (Capen) Reference(Non-Circulating) QC459 .U85 v.1-5.
Cumulative MF, alphabetic, and compound classification indexes in v. 5.


X-ray Crystallography/Spectra

* American Mineralogist Crystal Structure Database
http://www.geo.arizona.edu/AMS/amcsd.php
Access to every structure published in American Mineralogist, The Canadian Mineralogist, and the European Journal of Mineralogy. Data from the Physics and Chemistry of Minerals is in the process of being added.

*Bilboa Crystallographic Server [Materials Lab, Univ. of Basque Country, Spain] http://www.cryst.ehu.es/
A wide ranging collection of programs, retrieval tools, and databases including the Incommensurate Structures Database.

CCP14 (Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction)
http://sdpd.univ-lemans.fr/du-sdpd/nexus/ccp14/web/index3.htm

Directory to the best and most commonly used crystallography programs

* CPDS Powder Diffraction File
Swarthmore, Pa. : JCPDS, International Centre for Diffraction Data, 1980-
INDEX ONLY: Silverman (Capen) Reference QC482 .D5 P643
Diffraction patterns available on CDROM in the UB Geology Dept. by contacting Dr. Ross Giese glgclay@buffalo.edu.

* Crystallography Open Database
http://www.crystallography.net/
Over 12,000 structures contributed by researchers worldwide. A separate database of predicted structures is also available.

Data Activities in Crystallography (IUCr)
http://www.iucr.org/resources/data
Directory of fee-based and free crystallography databases, formats and related information

* Database of Zeolite Structures [International Zeolite Association]
http://www.iza-structure.org/databases/

Mineralogy Database
http://webmineral.com/
Over 4,300 individual mineral species descriptions linked to crystallography, X-Ray powder diffraction, chemical composition, properties, Dana's New classification, and Strunz classification.

* Reciprocal Net
http://www.reciprocalnet.org/
A cooperative effort of various crystallography research labs which will be part of the National Science Digital Library funded by NSF.

X-ray Photoelectron Spectroscopy Database [NIST]
http://srdata.nist.gov/xps/
Access to the energies of many photoelectron and Auger-electron spectral lines. Resulting from a critical evaluation of the published literature, the database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines.


Spectra by Compound Class


AGRICULTURAL CHEMICALS

* Sadtler agricultural chemicals
2-15 microns, 599 IR absorption spectra, grating and prism (#A4,001-#A4,600)
Silverman (Capen) SCI/ENGR Periodicals QC453 S27 AGRICULTURAL CHEM. 3 vol.  Indexes bound in Vol. 1.


BIOMOLECULES

* Atlas of steroid spectra.
Berlin, New York, Springer-Verlag, 1965.
Silverman (Capen) Reference QC463.S8 N4
900 IR, UV, NMR spectra

Biological Macromolecule Crystallization Database [NIST]
http://xpdb.nist.gov:8060/BMCD4/index.faces
The Biological Macromolecule Crystallization Database and NASA Archive for Protein Crystal Growth Data (BMCD ) contains the conditions reported for the crystallization of proteins and nucleic acids used in X-ray structure determinations and archives the results of microgravity macromolecule crystallization studies.

* BMRB: BioMagResBank
http://www.bmrb.wisc.edu/
NMR spectroscopic investigations of biological macromolecules. 1H, 13C, 15N, 31P shift data of proteins/peptides, DNA and RNA. (Univ. of Wisconsin)

Nucleic Acid Database
http://ndbserver.rutgers.edu/
A repository of 3-D structural information about nucleic acids based on NMR and X-ray diffraction analyses.

Protein Data Bank
http://www.rcsb.org/pdb/
A large repository of 3-D structure data for proteins and nucleic acids based on NMR and X-ray analyses.


FATS, WAXES, & DERIVATIVES

* Sadtler Fats, Waxes, & Derivatives COMMERCIAL Spectra

1,156 IR prism spectra (#G3,001-#G4,156)
Capen Multimedia Center Microform Area QC457.S34 Reel 1
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

1,800 IR grating spectra (#G1K-#G1,800K)
Capen Multimedia Center Microform Area QC457.S344
Print Index: Silverman (Capen) SCI/ENGR PeriodicalsQC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


FLAME RETARDANTS

* Sadtler Flame Retardants COMMERCIAL Spectra
300 IR grating spectra (#FR1K-#FR300K)
Capen Multimedia Center Microform Area TP266.5.F53
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


GASES & VAPORS

* Sadtler Gases & Vapors COMMERCIAL Spectra
150 FTIR spectra (#GS1-#GS150 )
Capen Multimedia Center Microform Area QC454.G3.S34
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


INORGANICS

* Sadtler Inorganics COMMERCIAL Spectra
1,300 IR grating spectra
Silverman (Capen) Reference QC457.S35 (#Y1K-#Y1,300K)
Capen Multimedia Center Microform Area QC457.S35 (#Y1S-#Y1,300S)
Print Index: Silverman (Capen) SCI/ENGR PeriodicalsQC453.S27 General Index [1966]; Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]; & bound with print spectra.


LUBRICANTS

* Sadtler Lubricants COMMERCIAL Spectra

900 IR grating spectra (#H1K-#H900K)
Capen Multimedia Center Microform Area TJ1077.S35
Print Index: Silverman (Capen) Reference QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

600 NMR - 60 MHz spectra (#H1M-#H600M)
Capen Multimedia Center Microform Area QC450.S188
Print Index: Silverman (Capen) Reference QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


MINERALS

(See also X-ray Crystallography/Spectra )

* Infrared (2.1-25 um) spectra of minerals / John W. Salisbury
Baltimore : John Hopkins University Press, 1991.
Silverman (Capen) Reference QE369 .S65 I538 1991

* USGS Digital Spectral Library
http://speclab.cr.usgs.gov/spectral-lib.html
Contains 800+ UV/Near-IR spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation.


ORGANOMETALLICS

* Sadtler Organometallics COMMERCIAL Spectra
400 IR grating spectra (#N1K-#N400K)
Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Index Orgmetal. grating spectra [1966]
Print Index: Bound with spectra & Silverman (Capen) Reference QC453.S27 [1985 Commercial Composite Index]


PETROLEUM CHEMICALS

* Sadtler Petroleum Chemicals COMMERCIAL Spectra
350 IR grating spectra (#P1K-#P350K)
Capen Multimedia Center Microform Area TP692.3.P4.P48
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


PLASTICIZERS

* Sadtler Plasticizers COMMERCIAL Spectra

900 IR prism spectra (#E2,001-#E2,900)
Capen Multimedia Center Microform Area QC457.S34 Reel 7
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

1,500 IR grating spectra (#E1K-#E1,500K)
Capen Multimedia Center Microform Area QC457.S343
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

600 NMR - 60 MHz spectra (#E1M-#E600M)
Capen Multimedia Center Microform Area QC450.S276
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


POLYCHLORINATED BIPHENYLS (PCBS)

* Spectral data for PCBs
College Station, Tex., USA : Thermodynamics Research Center c1994.
Silverman (Capen) Reference QC463 .B5 S65 1994
IR and mass spectra for 209 compounds indexed by IUPAC name, MF, CAS Registry Number, and specific PCB code.


POLYCYCLIC AROMATIC COMPOUNDS (PAH'S)

* Spectral atlas of polycyclic aromatic compounds : including data on occurrence and biological activity
Kluwer Academic Publishers, c1985.
Silverman (Capen) Reference QD341.H9 S6354 1985
Covers fluorescence, phosphorescence, UV, mass, NMR, and IR spectra.


POLYMERS & MONOMERS

* Atlas of polymer and plastics analysis
Munich : Hanser ; Weinheim ; Deerfield Beach, Fla. : Verlag Chemie, 1978-
Silverman (Capen) Reference QD139 .P6 H8 1978
Covers IR spectra only.

* Rapra Collection of Infrared Spectra of Rubbers, Plastics, and Thermoplastic Elastomers (3rd Ed.(UB Knovel Subscription)
Silverman (Capen) Reference QC463 .P5.S53 1997 (2nd Edition)
Transmission and pyrolysate spectra of a comprehensive range of technically important rubber and plastic materials.

* Sadtler ATR Polymers COMMERCIAL Spectra

600 IR ATR prism spectra (#W1-#W600)
Capen Multimedia Center Microform Area QC457.S34 Reel 5
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

1,800 IR ATR grating spectra (#W601K-#W2,400K)
Capen Multimedia Center Microform Area QC457.S34 Reels 9-12
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

* Sadtler DTA Polymers COMMERCIAL Spectra
700 DTA (differential thermal analysis) spectra (#D1-#D700)
Capen Multimedia Center Microform Area QC457.S34 Reel 4
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966]

* Sadtler Monomers & Polymers COMMERCIAL Spectra

5,355 IR prism spectra (#D1,201-#D6,555)
Capen Multimedia Center Microform Area QD471.S27
Print Index: Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Alph/Clas Grating Mon/Poly [1993] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

12,300 IR grating spectra (#D1K-D12,300K)
Capen Multimedia Center Microform Area QD095.M66
Print Index: Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Alph/Clas Grating Mon/Poly [1993] & Silverman (Capen)SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


600 NMR - 60 MHz spectra (#D1M-#D600M)
Capen Multimedia Center Microform Area QC762.S32
Print Index: Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Alph/Clas Grating Mon/Poly [1993] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

* Sadtler Natural Gums & Resins COMMERCIAL Spectra
251 IR spectra (#D950-#D1,200)
Capen Multimedia Center Microform Area TP978.S16
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


POLYOLS

* Sadtler Polyols COMMERCIAL Spectra

200 IR prism spectra (#B1,001-#B1,200)
Capen Multimedia Center Microform Area QC457.S34 Reel 2
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

300 IR grating spectra (#B1K-#B300K)
Capen Multimedia Center Microform Area QC463.A4.P6
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


RUBBER CHEMICALS

* Sadtler Rubber Chemicals COMMERCIAL Spectra

750 IR prism spectra (#J1-#J750)
Capen Multimedia Center Microform Area QC457.S34 Reel 3
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

900 IR grating spectra (#J1K-#J900K)
Capen Multimedia Center Microform Area QC450.S3
Print Indexes: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR PeriodicalsQC453.S27 [1985 Commercial Composite Index]


SOLVENTS

* Sadtler Solvents COMMERCIAL Spectra

1,500 IR prism spectra (#L1-#L1,500)
Capen Multimedia Center Microform Area QC457.S34 Reel 8
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

1,500 IR grating spectra (#L1K-#L1,500K)
Capen Multimedia Center Microform Area QC457.S33
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

600 NMR - 60 MHz spectra (#L1M-#L600M)
Capen Multimedia Center Microform Area TP247.5.S24
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


SURFACE ACTIVE AGENTS

* Sadtler Surface Active Agents COMMERCIAL Spectra

3,450 IR prism spectra (#C1-#C3,450)
Capen Multimedia Center Microform Area QC457.S325
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Index Alph/Clas Sur. Act. Ag. [1990] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

9,900 IR grating spectra (#C1K-#C9,900K)
Capen Multimedia Center Microform Area QC457.S32
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Index Alph/Clas Sur. Act. Ag. [1990] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]

600 NMR - 60 MHz spectra (#C1M-#C600M)
Capen Multimedia Center Microform Area QC463.S94.S97
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 Index Alph/Clas Sur. Act. Ag. [1990] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]


TEXTILE CHEMICALS

* Sadtler Textile Chemicals COMMERCIAL Spectra
600 IR prism spectra (#T1-#T600)
Capen Multimedia Center Microform Area QC457.S34 Reel 6
Print Index: Silverman (Capen) SCI/ENGR Periodicals QC453.S27 General Index [1966] & Silverman (Capen) SCI/ENGR Periodicals QC453.S27 [1985 Commercial Composite Index]