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SLA Annual Conference

SLA Annual Conference
June 5, 2007

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Spectroscopy Sources 6 1  07 Spectroscopy Sources 6 1 07 Presentation Transcript

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