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Spectroscopy Sources 6 1 07

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SLA Annual Conference
June 5, 2007

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Spectroscopy Sources 6 1 07

  1. 1. Spectroscopy for the Unpolarized How to Find Spectra and Spectroscopic Information Elizabeth Brown Binghamton University Libraries [email_address] SLA 2007 Annual Conference June 5, 2007
  2. 2. Spectroscopy for the Unpolarized <ul><li>What is Spectroscopy? </li></ul><ul><li>Why are spectra taken and recorded? </li></ul><ul><li>Spectra Types Electromagnetic, Mass Spectrometry </li></ul><ul><li>Primary Spectra types </li></ul><ul><ul><li>Sample spectra and features </li></ul></ul><ul><ul><li>Creation of spectra </li></ul></ul><ul><ul><li>Literature Sources </li></ul></ul><ul><li>Less Common Spectra </li></ul><ul><li>Searching Strategies for locating spectra </li></ul><ul><li>Web Resources for Spectroscopy </li></ul>
  3. 3. What is Spectroscopy? <ul><li>Spectroscopy is the study of the interaction between radiation and matter. </li></ul><ul><li>Spectrometry is the measurement of these interactions. </li></ul><ul><li>An instrument which performs the measurements is a spectrometer or spectrograph . </li></ul><ul><li>A plot or graph is referred to as a spectrogram or spectrum . </li></ul>
  4. 4. Why are Spectra taken and recorded? <ul><li>Observe how substances behave at certain energy levels </li></ul><ul><li>Serve as identification tools for a chemical substance </li></ul><ul><li>Help predict behavior of unknown substances or newly synthesized materials from ones already characterized </li></ul>
  5. 5. Types of Spectroscopy <ul><li>Electromagnetic spectroscopy - interactions with electromagnetic radiation, or light. (UV, Visible, IR, X-Ray) </li></ul><ul><li>Mass spectroscopy (Mass Spectrometry) - interaction of charged species with a magnetic field, giving rise to a mass spectrum. </li></ul><ul><li>Nuclear Magnetic Resonance (NMR) </li></ul><ul><li>Less common in the literature: </li></ul><ul><li>Electronic spectroscopy - electrons </li></ul><ul><li>Mechanical spectroscopy – macroscopic effects (vibrations, acoustics, etc.) </li></ul>
  6. 6. Electromagnetic Spectroscopy - The Electromagnetic Spectrum
  7. 7. Electromagnetic Spectroscopy <ul><li>Infrared (IR) </li></ul><ul><li>Visible and Ultraviolet (UV) </li></ul><ul><li>X-Ray </li></ul><ul><li>Lower to higher energy levels </li></ul>
  8. 8. Infrared Spectra Sources <ul><li>Sadtler Research Laboratories Spectra Collection (Bio-Rad KnowItAll U) </li></ul><ul><li>Standard Infrared </li></ul><ul><li>IR Grating Spectra </li></ul><ul><li>Standard Grating Spectra </li></ul><ul><li>Standard IR Grating Spectra </li></ul><ul><li>IR Prism Spectra </li></ul><ul><li>Standard Infrared Vapor Phase Spectra </li></ul><ul><li>Coblenz Society Spectra, 1969-1977 </li></ul><ul><li>The Aldrich Library of Infrared Spectra, Pouchert, 1981 </li></ul><ul><li>The Aldrich Library of FT-IR Spectra, Keller, 1986 </li></ul>
  9. 9. Infrared Spectra Sources (2) <ul><li>FDM Library Search (Fiveash Data Management) http://www.fdmspectra.com/FDM_Library_Search.htm </li></ul><ul><li>FDM FTIR Spectra of Polymers and Polymer Additives FDM FTIR Spectra of Surfactants FDM FTIR Spectra of Organic Compounds FDM FTIR Spectra of Minerals and Inorganic Compounds </li></ul><ul><li>National Institute of Standards and Technology (NIST) Web Book: http://webbook.nist.gov/ </li></ul><ul><li>Spectral Database for Organic Compounds (SDBS), </li></ul><ul><li>National Institute of Advanced Industrial Science and Technology (AIST), Japan. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi </li></ul><ul><li>Advanced Chemistry Development (ACD) Labs – Optical Databases Download Page http://www.acdlabs.com/download/db/uv_ir.html </li></ul><ul><li>Thermodynamics Research Center (TRC), Texas A & M University, Infrared Spectra Data </li></ul><ul><li>American Petroleum Institute (API) Catalogue of Infrared Spectral Data </li></ul>
  10. 10. Infrared Spectra - Aids <ul><li>Infrared Band Handbook, 2 nd ed. Szymanski, 1970 </li></ul><ul><li>Infrared and Raman Characteristic Group Frequencies, 3 rd ed., Socrates, 2000 </li></ul><ul><li>Tabulation of Infrared Spectral Data, Dolphin, 1977 </li></ul><ul><li>IR Absorption Frequencies: http://www.chem.ucla.edu/~webspectra/irtable.html </li></ul>
  11. 11. IR Spectra <ul><li>http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/InfraRed/infrared.htm </li></ul>
  12. 12. Visible and Ultraviolet (UV) Spectra Sources <ul><li>Sadtler Research Laboratories Spectra Collection (Bio-Rad KnowItAll U): </li></ul><ul><li>Standard Ultraviolet Spectra </li></ul><ul><li>NIST WebBook: http://webbook.nist.gov/ </li></ul><ul><li>Advanced Chemistry Development (ACD) Labs – Optical Databases Download Page http://www.acdlabs.com/download/db/uv_ir.html </li></ul><ul><li>Thermodynamics Research Center (TRC), Texas A & M University, Selected Ultraviolet Spectral Data </li></ul><ul><li>DMS UV Altas of Organic Compounds, Plenum, 1967 </li></ul>
  13. 13. UV/Vis Spectra 1 <ul><li>http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/UV-Vis/spectrum.htm </li></ul>
  14. 14. UV/Vis Spectra 2
  15. 15. Mass Spectrometry Sources <ul><li>National Institute of Standards and Technology (NIST) Web Book: http://webbook.nist.gov/ </li></ul><ul><li>American Petroleum Institute (API) Selected Mass Spectral Data </li></ul><ul><li>Advanced Chemistry Development (ACD) Labs – MS Databases Download Page </li></ul><ul><li>http://www.acdlabs.com/download/db/ms.html </li></ul><ul><li>Mass Spectrometry Tutorial http://www.chem.arizona.edu/massspec/ </li></ul>
  16. 16. Mass Spectra <ul><li>Br-CH 3 </li></ul><ul><li>79 Br </li></ul><ul><li>81 Br </li></ul><ul><li>13 C </li></ul><ul><li>14 C </li></ul>
  17. 17. Nuclear Magnetic Resonance (NMR) Sources <ul><li>The Aldrich Library of NMR Spectra, Pouchert, 1983 </li></ul><ul><li>The Aldrich Library of 13 C and 1 H FT NMR Spectra, Pouchert, 1993 </li></ul><ul><li>Sadtler Research Laboratories Spectra Collection (Bio-Rad KnowItAll U) </li></ul><ul><li>Standard Carbon-13 NMR Spectra </li></ul><ul><li>Standard NMR Spectra </li></ul><ul><li>National Institute of Standards and Technology (NIST) Web Book: http://webbook.nist.gov/ </li></ul><ul><li>Spectral Database for Organic Compounds (SDBS), </li></ul><ul><li>National Institute of Advanced Industrial Science and Technology (AIST), Japan. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi </li></ul>
  18. 18. Nuclear Magnetic Resonance (NMR) Sources (2) <ul><li>Thermodynamics Research Center (TRC), Texas A & M University, 13 C NMR Spectra Data </li></ul><ul><li>Selected Nuclear Magnetic Resonance Spectral Data </li></ul><ul><li>NMR ShiftDB (open NMR database on the web) http://nmrshiftdb.ice.mpg.de/ </li></ul><ul><li>Advanced Chemistry Development (ACD) Labs – NMR Databases Download Page http:// www.acdlabs.com/download/db/nmr.html </li></ul><ul><li>NMR Spectra of Polymers and Polymer Additives, Brandolini, 2000 </li></ul><ul><li>Handbook of Proton-NMR Spectra and Data, Asahi Research Center, 1985 </li></ul>
  19. 19. NMR Spectra <ul><li>http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/nmr/nmr1.htm </li></ul>
  20. 20. Sample H-NMR Spectra <ul><li>http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/nmr/nmr1.htm </li></ul>
  21. 21. 13C NMR Example <ul><li>http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/nmr/nmr1.htm </li></ul>
  22. 22. Less Common Spectra <ul><li>Lots of acronyms for spectra types </li></ul><ul><li>Some will have literature sources of spectra </li></ul><ul><li>Most will only be available from searching the chemistry or physics literature </li></ul>
  23. 23. Less Common Spectroscopy Types <ul><li>Raman Spectroscopy </li></ul><ul><li>Auger electron spectroscopy </li></ul><ul><li>Dielectric spectroscopy </li></ul><ul><li>Circular Dichroism spectroscopy </li></ul><ul><li>Atomic Emission Spectroscopy </li></ul><ul><li>Plasma Emission Spectroscopy </li></ul><ul><li>Glow discharge-optical emission spectrometry (GD-OES) </li></ul><ul><li>Inductively coupled plasma-atomic emission spectrometry (ICP-AES) </li></ul><ul><li>Laser Induced Breakdown Spectroscopy (LIBS) (LIBS), also called Laser-induced plasma spectrometry (LIPS) </li></ul><ul><li>Microwave-induced plasma (MIP) </li></ul><ul><li>Spark or arc (emission) spectroscopy. </li></ul><ul><li>Thermal infrared spectroscopy </li></ul><ul><li>Photoemission spectroscopy </li></ul><ul><li>Mössbauer spectroscopy </li></ul><ul><li>X-Ray Photoelectric Spectroscopy </li></ul>
  24. 24. Search Strategies: Locating Spectra in the Literature <ul><li>Know IUPAC and common names for chemical substance </li></ul><ul><li>Find CAS Registry Number – some sources index by Registry Number </li></ul><ul><li>Identify functional groups and other distinguishing features of substance </li></ul><ul><li>Ask patron or identify a similar substance as a reference </li></ul>
  25. 25. Search Strategies (2) <ul><li>Search acronyms as well as full spellings of spectra types to find literature sources </li></ul><ul><li>Journal articles with spectra frequently have </li></ul><ul><ul><li>different types of spectra for one chemical substance </li></ul></ul><ul><ul><li>Same spectra for a group of related substances </li></ul></ul><ul><li>Preparation papers are more likely to have spectra </li></ul>
  26. 26. Databases for Spectral Searching <ul><li>Chemical Substances, chemical spectra : </li></ul><ul><li>Scifinder Scholar, Beilstein, Gmelin </li></ul><ul><li>Spectroscopy Theory : INSPEC </li></ul>
  27. 27. Web Resources for Spectroscopy <ul><li>Science of Spectroscopy http://www.scienceofspectroscopy.info/ </li></ul><ul><li>SLA Chemistry Division Information Competencies http://units.sla.org/division/dche/il/index.htm </li></ul><ul><li>Finding Chemical Spectra and Spectral Data, UT-Austin Chemistry Library http://www.lib.utexas.edu/chem/info/spectra.html </li></ul><ul><li>Bio-Rad KnowItAll University Online Spectra Database </li></ul><ul><li>http:// www.knowitall.com/academic/welcome.asp </li></ul>
  28. 28. Acknowledgements <ul><li>BU Libraries Reference Staff </li></ul><ul><li>SLA PAM and CHEM Divisions </li></ul><ul><li>SLA Upstate New York Chapter </li></ul><ul><li>http://www.slideshare.net/ </li></ul>

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