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Spectroscopy Sources 6 1  07
 

Spectroscopy Sources 6 1 07

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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/