Subject Guides Prepared by the Swain Library

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Spectral Information Resources

Compiled by Bing Wang, during her internship at the Swain Library, Winter 2004.

This guide focuses on some major spectral information resources. For other spectra information, please search SearchWorks, Stanford’s Library Catalog, or consult with reference staff at Swain Library. Spectral resources related to polymers are available on the Polymer Chemistry Resources page.

Contents

Search Strategies

1. For books about spectroscopy, please search Library Catalogs or browse these Call Numbers in Swain stacks.
2. For background information, please consult General Reference Works.
3. To locate spectra for a specific compound, first search the Sigma-Aldrich Catalog on the web and display spectral data (listed as related document in left margin) or consult the print copy of the Aldrich Spectra in Swain’s Reference Room:
   • The Aldrich Library of FT-IR Spectra. Swain Ref QD96 .I5 P66 1985 F Vols. 1–3
   • The Aldrich Library of Infrared Spectra. Swain Ref QD96 .I5 P67 1981
   • The Aldrich Library of ¹³C and ¹H FT NMR Spectra. Swain Ref QC462.85 .A44 1993 F Vols. 1–3
   • The Aldrich Library of NMR Spectra. Swain Ref QD96 .N8 P68 1983 F Vols. 1–2
4. Consult print and online spectral resources by the type of spectra needed.
5. For more spectral information, please search these Online Databases.
6. For additional assistance, please contact Grace Baysinger, the Swain Librarian.

Library Catalogs

• SearchWorks: Stanford’s Library Catalog
• Melvyl: University of California’s Web-based Catalog. Limited to Stanford users
• World Catalog (OCLC). Limited to Stanford users
• LibWeb: Library WWW Servers
• Call Numbers for Browsing the Stacks and Subject Headings for Searching in the Catalog

See also: Books Online

General Reference Works

• A Dictionary of Concepts in NMR. Swain Ref QD96 .N8 H65 1992
• Acronyms and abbreviations in molecular spectroscopy: an enzyclopedic dictionary. Swain Ref QC454 .M6 W46 1990
• CRC Handbook of Basic Tables for Chemical Analysis. Swain Ref QD78 .B78 1989
• Encyclopedia of Analytical Chemistry : applications, theory, and instrumentation. Swain Ref QD71.5 .E52 2000 Vols. 1–15
• Encyclopedia of Analytical Science. Swain Ref QD71.5 .E53 1995 Vols. 1–10
• Encyclopedia of Spectroscopy and Spectrometry. Swain Ref QD95 .E55 2000 Vols. 1–3
• Encyclopedia of Spectroscopy. Swain Ref QC450.3 .P47 1995
• Handbook of Spectroscopy. Swain Ref QD95 .H27 1974 Vols. 1–3
• Spectroscopy Source Book. Swain Ref QD95 .S6368 1988
• Technical dictionary of spectroscopy and spectral analysis; English, French, German, Russian; with a supplement in Spanish. Swain Ref QC351.2 .M6 1971

Databases

• Beilstein Handbook of Organic Chemistry / Gmelin Handbook of Inorganic and Organometallic Chemistry via Reaxys. Includes structures, physical properties, reactions and literature quotations covering over 8 million organic and 1.4 million inorganic and organometallic compounds. (SU only)
  • Search Tip: Locate compound and view Field Availability section to locate information about spectral data and reference to journal source.
• Chemical Abstracts Online via SciFinder Scholar. It is a client-server for searching Chemical Abstracts Online. (SU only)
  • Search Tip: Search by Chemical Substance and limit references to Spectra Properties. Refine search by Research Topic and enter type of spectra desired.
• Combined Chemical Dictionaries via CHEMnetBASE. It is a wealth of chemical information from Chapman & Hall/CRC, available on the Internet. It includes Combined Chemical Dictionary; Dictionary of Commonly Cited Compounds; Dictionary of Inorganic and Organometallic Compounds; Dictionary of Natural Products; Dictionary of Organic Compounds; Pharmasource; The Handbook of Chemistry & Physics; Polymers: A Property Database; Properties of Organic Compounds; and ATSDR’s Toxicological Profiles. (SU only)
  • Search Tip: Locate compound and view references at end of record. They note if/what type of spectral data is included in a journal article or reference book. May record the CAS number for further reference.

Web Directories

• Analytical Sciences Digital Library (ASDL). “ASDL serves as a filter to select meritorious educational material that is available via the Internet. Every website on asdlib, as linked by its URL, is selected on the basis of careful peer review.”
• ChemDex. (Univ. Sheffield, UK) Chemdex is the directory of chemistry on the World-Wide Web.
• Chemistry Hypermedia Project: On-line resources for students, educators, and scientists. (Virginia Tech.) An online educational hypermedia for general chemistry, analytical chemistry, instrumental analysis, optics, and electronics.
• Chemistry Resources Links. (Universidad de Antioquia) A wealth links of the major types of spectroscopy and other related information.
• Chemistry, Biology and Related Disciplines in the WWW - Spectroscopy. (Chemistry Biology Information Center, Zürich) Classified links of spectroscopy information.
• INFOMINE: Scholarly Internet Resource Collections. (UCR) INFOMINE is a comprehensive virtual library and reference tool for academic and scholarly Internet resources, including Web sites, databases, electronic journals, bulletin boards, listservs, online library card catalogs, articles, directories of researchers, and other types of information.
• NIST Data Gateway. “The NIST Data Gateway provides easy access to NIST scientific and technical data. These data cover a broad range of substances and properties from many different scientific disciplines. The Gateway includes links to selected free online NIST databases as well as to information on NIST databases available for purchase.”
• NMR Spectroscopy and Mass Spectrometry tools. (Colby College) A good resource guide to NMR, Mass, IR and other related information.
• Spectra Resources - Cheminfo. (Indiana Univ.)
• Spectroscopy Source Book. Swain Ref QD95 .S6368 1988
• SpectroscopyNOW. Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services.
• The Analytical Chemistry Springboard. (Umea Univ., Sweden) A comprehensive, annotated list of analytical chemistry resources on the Internet.

Spectral Resource Guides from Other Libraries

• Finding Chemical Spectra and Spectral Data. (UT Austin)
• Guide to Spectra and Spectral Data. (Univ. of Arizona)
• IR, NMR and UV Resource Guide. (Purdue Univ.)
• Research Guide — Spectra Sources. (pdf) (George Mason Univ.)
• Spectral Data for Chemical Analysis. (Gelman Library)
• Spectral Resources Available on the Internet. (Indiana Univ.)
• Spectroscopy Resource Center. (Rockefeller Univ.)

Multiple Types of Spectral Sources

• Chemistry Resources Links. (Universidad de Antioquia) A wealth links of the major types of spectroscopy and other related information.
• Chemistry, Biology and Related Disciplines in the WWW — Spectroscopy. (Chemistry Biology Information Center, Zürich) Classified links of spectroscopy information.
• INFOMINE: Scholarly Internet Resource Collections. (UCR) INFOMINE is a comprehensive virtual library and reference tool for academic and scholarly Internet resources, including Web sites, databases, electronic journals, bulletin boards, listservs, online library card catalogs, articles, directories of researchers, and other types of information.
• NIST Data Gateway. “The NIST Data Gateway provides easy access to NIST scientific and technical data. These data cover a broad range of substances and properties from many different scientific disciplines. The Gateway includes links to selected free online NIST databases as well as to information on NIST databases available for purchase.”
• NMR Spectroscopy and Mass Spectrometry tools. (Colby College) A good resource guide to NMR, Mass, IR and other related information.
• SDBS Integrated Spectral Data Base for Organic Compounds. SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. [Free]
• Spectroscopynow. Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services.

Atomic Spectral Sources

• CRC Handbook of Atomic Absorption Analysis. Swain Ref QD96 .A8 V37 1984 Vols. 1–2
• Handbook of Basic Atomic Spectroscopic Data. (NIST) A selection of the most important and frequently used atomic spectroscopic data. [Free download]
• Line Coincidence Tables for Inductively Coupled Plasma Atomic Emission Spectrometry. Swain Ref QD96 .P62 B68 1984 Vols. 1–2
• Methods for Analytical Atomic Spectroscopy: Practices, Terminology, Guides, Standard Methods, Suggested Methods. Swain Ref QD96 .E46 M48 1987
• NIST Atomic and Molecular Physics Databases. Including databases of Atomic Spectroscopic Data, Molecular Spectroscopic Data, and X-Ray and Gamma-Ray Data.
• NIST Atomic Spectra Database. “The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data are included for observed transitions of 99 elements and energy levels of 52 elements. ASD contains data on about 900 spectra from about 1Å (Ångströms) to 200 µm (micrometers), with about 70,000 energy levels and 91,000 lines, 40,000 of which have transition probabilities listed. The most current NIST-evaluated data associated with each transition are integrated under a single listing.”
• NIST Physical Reference Data. This site compiles and organizes many kinds of critically evaluated and up-to-date physical data, with searchable bibliographic sources. Physical constants, atomic and molecular spectroscopic data, ionization data, x-ray and gamma-ray data, nuclear physics data, and condensed matter data, etc. [Free]
• Spectroscopynow. Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services. [Free]

IR Spectral Sources

• Atlas of IR Spectra of Organophosphorus Compounds: Interpreted Spectrograms. Swain Ref QC463 .O72 A8513 1990 F
• FTICR Calculator. (Univ. of Georgia)
• FTIRsearch.com. (Thermo Electron Corp.) Online searching of FTIR and Raman spectral databases.
• Handbook of Organic Compounds : NIR, IR, Raman, and UV-Vis Spectra Featuring Polymers and Surfactants. Swain Ref QC462.85 .H36 2001 Vols. 1–3
• Infrared Spectra of Inorganic Compounds. (Title from the Spine of Vol. 4) Swain Ref QC457 .N927 1997 Vols. 1–4
• Infrared Spectra of Minerals and Related Inorganic Compounds. Swain Ref QD96 .I5 G3
• Infrared Spectroscopy. (CSU Stanislaus)
• Interpreted Infrared Spectra. Swain Ref QD95 .S97 Vols. 1–3
• NIST Chemistry WebBook. The NIST Chemistry WebBook contains IR spectra for over 8700 compounds. [Free]
• Problems in Spectroscopy; Organic Structure Determination by NMR, IR, UV, and Mass spectra. Swain QD476.T7 1967
• SDBS Integrated Spectral Data Base for Organic Compounds. SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, ¹H decoupled ¹³C NMR, ¹H NMR pattern (90 and/or 400 MHz), ¹H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. [Free]
• Sigma-Aldrich Catalog. FT-IR and NMR spectra of most compounds in the catalog are downloadable as PDF files. Search by catalog number, name, formula, CAS registry number. Chemical/physical information, structure image are displayable. Free registration is required.
• The Aldrich Library of FT-IR Spectra. Swain Ref QD96 .I5 P66 1985 F Vols. 1–3
• The Aldrich Library of Infrared Spectra. Swain Ref QD96 .I5 P67 1981
• WebSpectra: Problems in NMR and IR Spectroscopy. (UCLA) Introduction to IR Spectra, Table of IR Absorptions.

IR Web Resources Directories

• ChemExper Chemical Directory. CCD contains IR spectra (via interactive applet) for various compounds. The directory can be searched by registry number, molecular formula, substructure, chemical name or synonyms in different languages as well as by physical and chemical characteristics and combinations of those data. The data are submitted from various sources and should not be considered critically evaluated.
• Chemistry Resources Links — FTIR Spectroscopy. (Universidad de Antioquia)
• Chemistry, Biology and Related Disciplines in the WWW — Infrared Spectroscopy. (Chemistry Biology Information Center, Zürich)
• FTIR Resources. (Dr. Shulamit Levin) Information on FTIR, HPLC and LC-MS analysis for chemistry, pharmaceuticals, biotechnology, food and environmental professionals. Original articles, presentations, tutorials as well as useful links to other resources.
• Infrared Spectroscopy Web Resources for Organic Chemists. (Chemistry Department, Universidade Nova de Lisboa)
• Spectroscopynow. Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services.

Mass Spectral Sources

• C.R.C. Handbook of Mass Spectra of Drugs. Swain Ref RS189 .C7
• Compilation of Mass Spectral Data. Swain Ref QD96 .M3 C67 1975 Vols. 1–2
• Compilation of Mass Spectral Data. First-Supplement. Swain Ref QD96 .M3 .C67 SUPPL.
• Environmental Contaminants. 2nd Edition. Swain Ref TD193 .H57 1992
• Handbook of Static Secondary Ion Mass Spectrometry. Swain Ref QD96 .S43 B75 1989 F
• Interpreting Protein Mass Spectra: a Comprehensive Resource. Swain Ref QD431.25 .A53 S69 2000
• Mass Spectra and GC Data of Steroids: Androgens and Estrogens. Swain Ref QC463 .S8 M35 1998 F
• MASSBANK — A Protein Mass Spectrum Database. (PROWL-Rockefeller Univ.) This database includes mass spectra of proteins, enzymatic digests of proteins, and mass spectrometric fragmentation patterns of peptides.
• NIST Chemistry WebBook. The NIST Chemistry WebBook contains mass spectra for over 12,600 compounds. [Free]
• Polymer Maldi MS Methods Database. (NIST) Including MassSpectator automated data analysis tool, mass spectrometry of synthetic polymer mixtures workshop, and quantitative synthetic polymer mass spectrometry project page.
• Problems in Spectroscopy; Organic Structure Determination by NMR, IR, UV, and Mass spectra. Swain QD476 .T7 1967

Mass Spectra Web Resources Directories

• Chemistry Resources Links — Mass Spectroscopy. (Universidad de Antioquia)
• Chemistry, Biology and Related Disciplines in the WWW — Mass Spectroscopy. (Chemistry Biology Information Center, Zürich)
• DCIF Mass Spec Links. (MIT)
• MS Links — Mass Spec Reference Source. (Scientific Instrument Services, Inc.)
• Spectroscopynow. Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services.

Molecular Spectral Sources

• Données Spectroscopiques Concernant Les Molécules Diatomiques. Swain Ref QD96 .M65 D6 1951
• Line Coincidence Tables for Inductively Coupled Plasma Atomic Emission Spectrometry. Swain Ref QD96 .P62 B68 1984 Vols. 1–2
• NIST Molecular Spectra Databases. Including three databases: diatomic spectal database, triatomic spectal database, and hydrocarbon spectal database.

NMR Spectral Sources

• 13C NMR Spectroscopy. Swain QD96.N8B7313 1984
• A Dictionary of Concepts in NMR. Swain Ref QD96 .N8 H65 1992
• BioMagResBank (BMRB). (http://www.bmrb.wisc.edu/) (Univ. of Wisonsin-Madison) “A repository for data from NMR spectroscopy on Proteins, Peptides, and Nucleic Acids.”
• Carbon-13 NMR Spectra; a collection of Assigned, Coded and Indexed Spectra. Swain Ref QC462 .C1.J64 1972
• Chemical Shift Ranges in Carbon-13 NMR Spectroscopy. Swain Ref QD96 .N8 B74 1982
• NMR spectra catalog. Swain Ref QC762 .V3 Vols. 1–2
• Problems in Spectroscopy; Organic Structure Determination by NMR, IR, UV, and Mass spectra. Swain QD476.T7 1967
• Proton and Carbon NMR Spectra of Polymers. 5th Edition. Swain QC463 .P5 P76 2003 F
• Sadtler Spectra [microform] : 300 MHz Proton NMR Standards. Swain MFILM N.S. 13658 1996
• SDBS Integrated Spectral Data Base for Organic Compounds. SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. [Free]
• Sigma-Aldrich Catalog. (http://www.sigmaaldrich.com/) FT-IR and NMR spectra of most compounds in the catalog are downloadable as PDF files. Search by catalog number, name, formula, CAS registry number. Chemical/physical information, structure image are displayable. Free registration is required.
• Standard Proton NMR Collection. Supplementary Molecular Weight Index. Swain Ref QC762 .S76 1981-1995
• The Aldrich Library of ¹³C and ¹H FT NMR Spectra. Swain Ref QC462.85 .A44 1993 F Vols. 1–3
• The Aldrich Library of NMR Spectra. Swain Ref QD96 .N8 P68 1983 F Vols. 1–2
• The Basics of NMR. (http://www.cis.rit.edu/htbooks/nmr/nmr-main.htm) Comprehensive online education package for NMR Spectroscopy, prepared by Professor Joseph Hornak of the Rochester Institute of Technology (RIT).
• The Sadtler Guide to NMR Spectra. Swain Ref QC490 .S55 1972
• WebSpectra: Problems in NMR and IR Spectroscopy. (http://www.chem.ucla.edu/~webspectra/) (UCLA) Solving Spectral Problems, Overview of NMR Spectroscopy, Notes on NMR Solvents, Types of NMR Spectra.

NMR Web Resources Directories

• Chemistry Resources Links – NMR Spectroscopy. (http://matematicas.udea.edu.co/~carlopez/index2a.html) (Universidad de Antioquia)
• Chemistry, Biology and Related Disciplines in the WWW - NMR Spectroscopy. (http://www.infochembio.ethz.ch/links/en/spectrosc_nmr.html) (Chemistry Biology Information Center, Zürich)
• Educational NMR Resources. (http://cc.oulu.fi/~nmrlab/nmrlabra/educnmr.htm)
• NMR Home Pages and Links. (http://www.informatik.uni-frankfurt.de/~garrit/english/biowelt_engl/nmr_engl.html) (University Frankfurt)
• NMR Information Serve. (http://spincore.com/nmrinfo/) (Spincore Inc.)
• NMR Knowledge Base. (http://www.spectroscopynow.com/coi/cda/home.cda?chId=5)
• Protein NMR Spectroscopy. (http://www-nmr.cabm.rutgers.edu/webresources/frames_links.html) (CABM NMR Lab, Rutgers)
• UCSF NMR Resources. (http://picasso.ucsf.edu/New/resources.html)

Raman Spectral Sources

• Chemistry Resources Links. (http://matematicas.udea.edu.co/~carlopez/index2a.html) (Universidad de Antioquia) Links related to Raman.
• Chemistry, Biology and Related Disciplines in the WWW - Raman Spectroscopy. (http://www.infochembio.ethz.ch/links/en/spectrosc_raman.html) (Chemistry Biology Information Center, Zürich) A good directory of Raman Web Resources.
• Handbook of Fourier Transform Raman and Infrared Spectra of Polymers. Swain Ref QC463 .P5 K86 1998
• Handbook of Organic Compounds: NIR, IR, Raman, and UV-Vis Spectra Featuring Polymers and Surfactants. Swain Ref QC462.85 .H36 2001 Vols. 1–3
• Infrared and Raman Spectra of Inorganic and Coordination Compounds. 5th Edition. Swain QD96.I5 N33 1997 PT. A–B
• Infrared and Raman Spectra of Polyatomic Molecules. 2nd with corr Edition. Swain Permanent Reserve QC451 .H464 V.2 1991
• Inorganic Infrared and Raman Spectra. Swain QC457 .R6 1972
• Molecular Vibrational-Rotational Spectra: Theory and Applications of High Resolution Infrared, Microwave, and Raman Spectroscopy of Polyatomic Molecules. Swain QC454.M6 P36 1982
• Molecular Vibrations: the Theory of Infrared and Raman Vibrational Spectra. Swain QC454 V5 W54 1980
• Raman Spectra of Hydrocarbons. 1st Edition. Swain Ref QC463.H9 S7313 1980
• Raman Spectra of Polymers. Swain Ref QC462 .P5 H45 1993 F
• Raman Spectroscopy: Tutorial. (http://www.fis.unipr.it/phevix/raman_tutorial.html) (University of Parma) A good Web tutorial.
• SDBS Integrated Spectral Data Base for Organic Compounds. SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory database of the compounds. The spectra are EI mass, 1H decoupled 13C NMR, 1H NMR pattern (90 and/or 400 MHz), 1H NMR parameter (300 MHz pattern generated), FT-IR, laser-Raman, and ESR. [Free]
• Spectroscopynow. (http://www.spectroscopynow.com/coi/cda/home.cda?chId=6) Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services. [Free]

UV/Visible Spectral Sources

• Chemistry Resources Links — UV/Vis Spectroscopy. (http://matematicas.udea.edu.co/~carlopez/index2a.html) (Universidad de Antioquia) Links related to UV/VIS spectroscopy.
• Chemistry, Biology and Related Disciplines in the WWW — Ultraviolet/ Visible Spectroscopy. (http://www.infochembio.ethz.ch/links/en/spectrosc_uvvis.html) (Chemistry Biology Information Center, Zürich) A good directory of UV/Vis Web Resources.
• Handbook of Organic Compounds: NIR, IR, Raman, and UV-Vis Spectra Featuring Polymers and Surfactants. Swain Ref QC462.85 .H36 2001 Vols. 1–3
• NIST Chemistry WebBook. (http://webbook.nist.gov/chemistry/) The NIST Chemistry WebBook contains UV/VIS spectra for 400 compounds. [Free]
• Problems in Spectroscopy: Organic Structure Determination by NMR, IR, UV, and Mass spectra. Swain QD476.T7 1967
• Spectroscopynow. (http://www.spectroscopynow.com/coi/cda/home.cda?chId=7) Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services. [Free]
• Ultra-Violet and Visible Spectroscopy: Chemical Applications. 3rd Edition. Swain QD96.U4.R36 1974
• Ultraviolet Spectroscopy and UV Lasers. Swain QD96 .U4 U47 2002
• Ultraviolet Spectroscopy of Proteins. Swain QP551 .D3813 1986
• Ultraviolet Spectroscopy. Swain QD95 .J24 1962
• UV Spectroscopy: Techniques, Instrumentation, Data Handling. 1st Edition. Swain QD96.U4 U9 1993
• UV-VIS Atlas of Organic Compounds. 2nd Edition. Swain Ref QC462.85 .P47 1992 F Pt. 1–2
• UV-VIS Spectroscopy and its Applications. Swain QD96.U4 P4713 1992

X-Ray and Gamma-Ray Spectral Sources

• Chemistry Resources Links. (Universidad de Antioquia) Links related to X-ray, atomic and other spectroscopy.
• Chemistry, Biology and Related Disciplines in the WWW. (Chemistry Biology Information Center, Zürich) Classified links of different types of spectroscopy including atomic, electron, X-ray, plasma, Laser and the other five major spectroscopy: IR, NMR, Mass, UV/Vis, Raman.
• Desktop Spectrum Analyzer (DTSA). (NIST) A MACINTOSH ONLY based x-ray spectral analysis and manipulation software package. [Free download]
• GAMMA. (Florida State Univ.) A General Approach to Magnetic Resonance Mathematical Analysis.
• The handbook of monochromatic XPS spectra. Swain Reference QC482 .S6 C75 2000 vol. 1–3
• Handbook of X-Ray Spectrometry, 2nd ed. Swain Stacks QD96 .X2 H35 2002
• High resolution XPS of organic polymers : the Scienta ESCA300 database. Swain Reference QD139 .P6 B43 1992
• NIST Physical Reference Data. This site compiles and organizes many kinds of critically evaluated and up-to-date physical data, with searchable bibliographic sources. Physical constants, atomic and molecular spectroscopic data, ionization data, x-ray and gamma-ray data, nuclear physics data, and condensed matter data, etc. [Free]
• NIST X-ray Photoelectron Spectroscopy Database: Version 3.4. “The NIST X-ray Photoelectron Spectroscopy (XPS) Database gives easy access to the energies of many photoelectron and Auger-electron spectral lines.”
• Spectra of Gas Discharges. Java-generated color images of spectra of gaseous elements undergoing electrical discharge excitation.
• Spectroscopynow. Covers the 10 key spectroscopy techniques: Infrared, Mass Spectrometry, NMR, Raman, Proteomics, Chemometrics, Atomic, Ultraviolet, X-ray, and MRI. Free access to top journal papers from 2002 and a wealth of valuable information, resources and services. [Free]

Educational Resources

Spectral Interpretation

Items below are available to help you interpret spectra.

• Guide to Spectroscopic Identification of Organic Compounds. Swain QD272 .S6 F45 1995 Excellent source that provides instructions on how to interpret spectra.
• Infrared Characteristic Group Frequencies: Tables and Charts. 3rd Edition. Swain Ref QC457 .S69 2001. Contains characteristic absorptions of functional groups over the entire infrared region are given in tables as well as being discussed and amplified in the text.
• Interpreting Infrared, Raman, and Nuclear Magnetic Resonance Spectra. Swain QD96 .I5 N96 2001 Vols. 1–2
• Introduction to Spectroscopy: a guide for students of organic chemistry. 3rd Edition. Swain QD272 .S6 P38 2001
• NMR of Aromatic Compounds. Swain QD331 .M45 1982. Contains thorough tables of NMR shifting and coupling data for many aromatics, especially aromatics containing nitrogen. Chapter 3, pgs. 42–43, 55–57, and Chapter 5, pgs. 147–154 are very useful.
• Organic Chemist’s Desk Reference. Swain Ref QD257.7 .E28 1995. Chapter 17 titled “Spectroscopy” covers basic info on interpreting spectra.
• Spectrometric Identification of Organic Compounds. 6th Edition. Swain QD272 .S6 S55 1998. Great alternative spectroscopy text. It includes NMR data for complex aromatics, heterocyclics, and hetero-aromatics. Pages 207-222 are especially helpful.

Other Educational Resources

• 2D NMR Spectroscopy. (Univ. of Sciences and Technologies of Lille, France) 2D NMR summary, tutorial, course, and spectroscopy.
• Analytical X-Ray Safety Tutorial. (UIUC) The seminar is intended for users of analytical x-ray equipment who have not had previous radiation safety training. The material presented is only meant to supplement, not replace, the training offered by the principal investigator/supervisor in charge of each specific x-ray unit.
• Chemdex. The Sheffield Chemdex: the directory of chemistry on the WWW since 1993.
• ChemInfo. Maintained by Indiana University, this website helps people find and learn how to use chemical information resources on the Internet and elsewhere.
• Chem Source Online. Chemical buyer’s guide. (SU only)
• Chemistry Hypermedia Project: Online Resources for Students, Educators, and Scientists. The Chemistry Hypermedia Project is exploring new ways to apply computer and network technology to help students learn chemistry, and to help educators teach chemistry. The specific goals of this project are: To use the internet to provide supplemental educational resources to chemistry students. To determine effective hypermedia designs for chemical education. To evaluate the distribution of multimedia educational material over the internet. To develop, evaluate, and disseminate prototype programs for creating interactive exercises.
• Infrared Spectroscopy. (CSU Stanislaus)
• IR Spectroscopy: IR helper. (Colby College) IR Helper is a step-by-step tutorial on the interpretation of Infra-Red spectra.
• Laser Techniques in Chemistry. Swain QD61 .T4 V.23 1995
• Literature of Analytical Chemistry: a Scientometric Evaluation. Swain Ref QD75.3 .B73 1987
• Raman Spectroscopy: Tutorial. (University of Parma) A good Web tutorial.
• Secrets of Spectroscopy Revealed. (pdf, 3.4 MB)
• The Basics of NMR. It is comprehensive online education package for NMR Spectroscopy, prepared by Professor Joseph Hornak of the Rochester Institute of Technology (RIT).
• The History of the NIST/EPA/NIH Mass Spectral Database. (Stephen R. Heller) An article published on Today’s Chemist at Work (1999) describes the history of the NIST/EPA/NIH mass spectral database.
• Using Literature. Swain Ref QD75.2 .U85 1987
• WebSpectra: Problems in NMR and IR Spectroscopy. (UCLA) Solving Spectral Problems, Overview of NMR Spectroscopy, Notes on NMR Solvents, Types of NMR Spectra, Introduction to IR Spectra, Table of IR Absorptions.

Conferences and Listservs

• CHMINF-L – Chemical Information Sources Discussion List.
• Chromatography-Mass Spectrometry Symposium.
• Conference Calendar at SpectroscopyNOW.
• ENC: Experimental Nuclear Magnetic Resonance Conference.
• MS Listservers. (Georgia Tech.)
• Pitt Conference on Analytical Chemistry & Spectroscopy.
• Royal Society of Chemistry Open Learning and Workshops in Analytical Chemistry. (pdf)
• RSC NMR Discussion Group.
• SMASH: Small Molecule NMR Conference.
• The Eastern Analytical Symposium.

Organizations

• American Chemical Society’s Analytical Division.
• American Society for Mass Spectrometry. ASMS was formed in 1969 to promote and disseminate knowledge of mass spectrometry and allied topics. It has more than 3,500 members right now.
• Anachem.
• Association of Managers in Magnetic Resonance Laboratories (AMMRL).
• British Society for Mass Spectrometry.
• Canadian Society for Mass Spectrometry.
• Chemsoc — the chemistry societies. “An electronic network contains business and science news, a comprehensive world wide conferences and events database, careers pages, useful links and a unique chemistry resource locator.”
• Coblentz Society. This organization was founded in 1954 and own over 600 members. Its purpose is to foster the understanding and application of vibrational spectroscopy.
• Commission on Molecular Structure & Spectroscopy, International Union of Pure & Applied Chemistry (IUPAC).
• Federation of Analytical Chemistry and Spectroscopy Societies. FACSS was founded in 1972. It provides a forum to address the challenges of analytical chemistry, chromatography, and spectroscopy. It also reviews technical papers.
• Infrared and Raman Users Group (IRUG). “A collaboration to encourage the exchange of information, develop IR and Raman spectral standards, and distribute compatative spectral data for the study of works of art, architecture, and archeological materials.”
• International EPR (ESR) Society.
• International Mass Spectrometry Society.
• International Society for Magnetic Resonance in Medicine.
• ISA — The Instrumentation, Systems, and Automation Society.
• Mass Spectrometry Society of Japan.
• Royal Society of Chemistry Analytical Division.
• Society for Applied Spectroscopy. SAS was founded in 1958 and owns over 3000 members. It interests in all phases of spectroscopy; conducts educational programs.

Stanford Links

• The Richard M. Lucas Center for Magnetic Resonance Spectroscopy and Imaging.
• Vincent Coates Foundation Mass Spectrometry Laboratory.
• Stanford Chemistry Department NMR Facility.