Spectral Data for Chemical Analysis

The URL for this page is http://www.gwu.edu/gelman/guides/sciences/spectraldata.html

Introduction to Spectroscopy

Encyclopedia of Analytical Science, 1995.

Location: REF QD 71.5 .E53 1995

Lengthy articles include discussion of theory and instrumentation, techniques, and applications for all types of spectroscopic analysis.

Encyclopedia of Spectroscopy, 1995.

Location: REF QC 450.3 .P47

Entries give concise explantation of theory and instrumentation for all types of spectroscopy.

Property Data for Several Types of Spectroscopy

Atlas of Spectral Data and Physical Constants for Organic Compounds, 2nd ed., Jeanette G. Grasselli and William M. Ritchley, ed., 1975.

Location: REF QD 257.7 .G7 1975

A six volume set which gives data on 21,000 common organic compounds. Indexed by compound name, molecular formula, molecular weight, mass spectral data, and characteristic physical constants.

CRC Handbook of Basic Tables for Chemical Analysis, Thomas J. Bruno and Paris D.N. Svoronos, 1989.

Location: REF QD 78 .B78 1989

Includes sections on UV spectrophotometry, infrared spectrophotometry, NMR spectroscopy, mass spectroscopy, and atomic absorption and emission spectrometry.

CS Chemfinder.

Location: http://chemfinder.cambridgesoft.com/

You must register for free access to this site from Cambridge Software which allows you to search by formula, name, molecular weight, or structure for information on more than 75,000 compounds.

The Handbook of Infrared and Raman Spectra of Inorganic Compounds and Organic Salts, Richard A. Nyquist, Curtis L. Putzig, and M. Anne Leugers, 1997.

Location: REF QC457 .N927 1997

A four volume set.

NIST Atomic Spectra Database.

Location: http://physics.nist.gov/cgi-bin/AtData/main_asd

This database provides access and search capability for NIST critically evaluated data on atomic energy levels, wavelengths, and transition probabilities that are reasonably up-to-date.

NIST Chemistry WebBook.

Location: http://webbook.nist.gov/chemistry/

The NIST Chemistry WebBook contains thermochemical and thermophysical data, several types of spectral data, and solubility data. Information is continually being added. Searches can be done by the specific chemical or by the type of data desired.

Periodic Table of the Elements.

Location: http://www.webelements.com/

Make use of the basic periodical table or click on individual elements for extensive information including properties, appearance, occurrence, history, and uses.

Practical Handbook of Spectroscopy, James W. Robinson, 1991.

Location: REF QD 95 .P73

This is a condensed version of the three volume CRC Handbook of Spectroscopy. It gives data on important compounds from all major fields of spectroscopy.

SDBS.

Location: http://www.aist.go.jp/RIODB/SDBS/menu-e.html

Integrated spectral data base system for organic compounds sponsored by the National Institute of Materials and Chemical Research in Japan (NMR and MS). Searchable by compound name, molecular formula, molecular weight, CAS Registry Number, number of atoms, and ppm.

SOLV-DB.

Location: http://solvdb.ncms.org/

This site from the National Center for Manufacturing Services provides property data on solvents.

Spectral Atlas of Polycyclic Aromatic Compounds, W. Karcher, et.al., eds., 1985.

Location: REF QD 341 .H9 S6354 1985

Spectroscopic Tools.

Location: http://www.chem.uni-potsdam.de/tools/index.html

A site from the University of Potsdam which allows you to search for Proton NMR, Carbon-13 NMR, Infrared, and Mass Spectral data.

Tables of Spectral Data for Structure Determination of Organic Compounds, 2nd ed., Pretsch et al., 1989.

Location: REF QC 462.85 .T313 1989

Includes sections on 13C-NMR Spectroscopy, Proton Resonance Spectroscopy, Mass Spectrometry, and UV/Visible Spectroscopy.

Infrared Spectroscopy

The Aldrich Library of Infrared Spectra, 3rd ed., Charles J. Pouchert, 1981.

Location: REF QD 96.15 .P67 1981

Sections are organized by functional group and within each section compounds are arranged in order of increasing complexity. Molecular formula index and alphabetical name indices are provided.

Gases and Vapors: A Special Collection of Infrared Spectra from the Coblentz Society Inc., Clara D. Craver, Ed., 1980.

Location: REF QC 457 .C685 1980

Evaluated spectra by compound class.

A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures, Noel P.G. Roeges, 1994.

Location: REF QC 462.85 .R64 1994

Compares and classifies the absorption frequencies of the important functional groups in organic compounds.

Handbook of Infrared Standards with Spectral Maps and Transition Assignments Bewtween 3 and 2600 µm Guy Guelachvili and K. Narahari Rao, 1986.

Location: QC 457 .G83 1986

An Index of Published Infra-Red Spectra, Great Britain Ministry of Aviation, Technical Information and Library Service. 1960.

Location: REF QC 457 .G68

Two-volume set.

Infrared Band Handbook, 2nd ed. Herman A. Szymanski and Ronald E. Erickson, 1970.

Location: REF QC 457 .S98 1970

Entries are arranged by band numbers and subarranged by band strength. An index gives access by molecular formula.

Infrared Characteristic Group Frequencies, 2nd ed., George Socrates, 1994.

Location: REF QC 457 .S69 1994

Gives data and analytical interpretation of both IR and FT-IR. Covers organic and inorganic compounds and is arranged by functional group.

Mass Spectra

Atlas of Mass Spectral Data, E. Stenhagen, S. Abrahansson and F.W. McLafferty, Eds., 1969.

Location: REF QC 453 .S75

Compounds are arranged in the table by molecular weight and cross-indexed by molecular formula.

The Important Peak Index of the Registry of Mass Spectral Data, Fred W. McLafferty and Douglas B. Stauffer, 1991.

Location: REF QC 454 .M3 M38 1991

Introduction to Mass Spectra 3rd Ed. 1997.

Location: QP519.9.M3 W37 1997.

Tables of Spectra of Hydrogen, Carbon, Nitrogen, and Oxygen Atoms and Ions, Carlotte E. Moore and Jean W. Gallagher, Eds., 1993.

Location: REF QC 454 .A8 M66

Gives atomic energy levels and multiplet tables for these atoms and ions.

Nuclear Magnetic Resonance

The Aldrich Library of NMR Spectra, Charles J. Pouchert and John R. Campbell, 1974.

Location: REF QD 291 .P69

An eleven volume set arranged by compound class, with a molecular formula index at the back of each volume and a cumulative index in volume eleven.

Atlas of Carbon-13 NMR Data, E. Breitmaier, et al., 1975.

Location: QC 462 .C1 B73

The Gelman Library has only volume one which covers 1000 compounds.

Handbook of Proton NMR Spectra and Data, Asahi Research Center Co., Ltd. (ed.), 1985.

Location: REF QC 762 .H33 1985

Five-volume set.

High Resolution NMR Spectra Catalog, Varian Associates, Instrument Division, Compiled by Norman S. Bhacca, 1963.

Location: QD 291 .V3

Spectra are arranged in the order of increasing complexity, Indexes by chemical name, functional group, and chemical shift are provided.

NMR Band Handbook, Herman A. Szymanski and Robert E. Yelin, 1968.

Location: REF QD 291 .S97

Raman Spectra

Raman/Infrared Atlas of Organic Compounds, 2nd ed., Bernhard Schrader, 1989.

Location: REF QD 272 .S6 S3713 1989

Spectra for approximately 1000 organic compounds. "All important molecular skeletons and substituents in different combinations are included." Indexes by compound name, molecular formula, and substituents.

Raman Spectra of Hydrocarbons, K.E. Sterin, V.T. Aleksanyan, and G.N. Zhizhin, 1980.

Location: REF QC 463 .H9 S7413

A collection of Raman spectra of 600 organic compounds.

Ultraviolet and Visible Spectra

The Sadtler Handbook of Ultraviolet Spectra, Sadtler Research Laboratories, 1979.

Location: REF QC 459 .S25 1979

This abridged edition of the larger Sadtler set on UV Spectra covers 1600 compounds.

Ultraviolet and Visible Absorption Spectra, Herbert M. Hershenson, 1956-1966.

Location: REF QC 459 .U47

A bibliography of references to scientific literature containing spectral data in the UV to Visible range. The three volumes cover literature from 1930 to 1963.

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