Light & Spectroscopy  9/01


    General * Spectroscopy * NMR * IR * Mass Spectrometry * UV/ Visible * Problems & Questions * Circular Dichroism & ORD * Astronomical Spectroscopy


    General:

    Encyclopedia: Optical Spectroscopy & Radiation
    http://members.tripod.com/~IgorIvanov/physics/spectroscopy.html

    Commodity LLC
    https://commodity.com/chemical-elements/chemistry-links/

    Light and Optics Arizona State University
    http://acept.la.asu.edu/PiN/rdg/readings.shtml

    Dictionary of Photonics   Photonics:Light and the Transmission of Information
    http://www.photonicsdictionary.com


    Spectroscopy:

    Intoduction to Spectroscopy  from Brian Tissue and the Chemistry Hypermedia Project
    http://www.chem.vt.edu/chem-ed/

      Spectroscopy Index: http://www.chem.vt.edu/chem-ed/ac-basic.html
       
    Spectroscopy from Professor Reusch's organic chemistry course at Michigan State University
    http://www.cem.msu.edu/~reusch/OrgPage/VirtualText/Spectrpy/spectro.htm

    Spectroscopy (The Wilson Group, University of California, San Diego) General Background and Theory from a Physical Chemistry perspective. Presentation style materials.

    Spectroscopic Techniques: A large informational collection on many spectroscopic applications from the University of Adelaide
    http://www.chemistry.adelaide.edu.au/external/Soc-Rel/Content/ac-meths.htm#spectroscopy

    Spectroscopy Resources: A large collection of useful links from the Chemical Institute of Canada (CIC: Hamilton Section)
    http://www.netaccess.on.ca/~dbc/cic_hamilton/spect.html

    Raman Spectroscopy Explained
    http://www-personal.umich.edu/~jshaver/virtual/explain.html

      Virtually Raman   http://www-personal.umich.edu/~jshaver/virtual/schematic.html


    Spectral Data Base System for Organic Compounds SDBS: Integrated Spectral Data Base System for Organic Compounds, a searchable database that contains: MS (ca 18,000 spectra), 13C NMR (ca 9,700 spectra), Compound Dictionary, 1H NMR (ca 10,100 spectra, 29,000 compounds) with plans to add ESR, IR and Raman.


    NMR:

    The Basics of NMR: Dr. Joseph Hornak  http://www.cis.rit.edu/htbooks/nmr/nmr-main.htm

    Introduction to NMR: Gregory Brust, University of Southern Mississippi
    http://www.psrc.usm.edu/macrog/nmr.htm

    Introduction to NMR and its History: NMR Laboratory, University of Oulu, Finland
    http://www.student.oulu.fi/~pingman/nmrlabra/nmrlab.htm

    NMR Spectroscopy for the Student Six Lectures from Prof. Henry Rzepa, Imperial College, London
     

    Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:Spectroscopy
    Section VIb: 1H & 13C NMR
    Problem Set
    1H & 13C NMR Problem Set


    Proton Chemical Shift Table California State University, Stanislaus

    Proton NMR Wizard from Steffan (St.) Thomas, University of Potsdam, Germany. A query based nmr tool in English and German. Useful in self-learning-testing applications. Supply a chemical shift value and a table of possibilities is produced with ranges of chemical shifts. Pages are cleanly designed and the built-in search engine works well.

    13C Chemical Shift Calculator University of Potsdam, Germany, Produces 13C spectra for phenyls, biphenyls, pyridines and pyridazines http://www.chem.uni-potsdam.de/calcnmr.html

    WebSpectra: NMR and IR Problems, Prof. Craig Merlic UCLA http://www.chem.ucla.edu/~webspectra/

    Introduction to Nuclear Magnetic Resonance (The Wilson Group, University of California, San Diego) A collection of JPEG files and animations that can be used as lecture tools which highlight the applications and theoretical foundations of NMR. Can adapt files to color transparencies.

    Analyses of 2D NOESY Proton NMR Spectra 3D Structure of DNA: Henry Rzepa, Imperial College, London and Interleukin-8: M. Hargreaves, Glaxo.

    BioMagResBank NMR Macromolecule database: proteins, peptides and nucleic acids: University of Wisconsin.

    The FT NMR Free Induction Decay Archive An archive of 1H and 13C NMR spectra in FID form, ready for processing by two common off-line NMR software programs (NUTS and Felix): Prof. Craig Fryhle, Pacific Lutheran University.

    ACD/SpecViewer 4.0 Freeware
    http://www.acdlabs.com/download/specview.html
    A new program  for viewing and representing processed spectra of different types (NMR, MS, UV, visible, IR, NIR and Raman spectra) through one interface. Requires Chem Sketch.
    Also available: commercial software that can simulate NMR spectra of molecules that you draw. One program for 1H and another for 13C. Currently windows version only. Free viewer available. Can download demos and viewer over the internet.

    http://www.cherwell.com
    Commercial "gnmr" software simulates NMR spectra of any spin nuclei using the same program. Can input structures from ISIS Draw, ChemWindows or ChemIntosh. Windows and Mac versions available. The program currently does not integrate areas under signals. Downloadable demo available.


    IR:
     

    Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:Spectroscopy
    Section VIa: Infrared Spectroscopy
    Problem Set
    Infrared Spectroscopy Problem Set


    Introduction to IR: UCLA
    http://www.chem.ucla.edu/~webspectra/irintro.html

       
      WebSpectra: NMR and IR Problems, Prof. Craig Merlic UCLA http://www.chem.ucla.edu/~webspectra/
      IR Problems: A small set from Whitworth College
      http://www.whitworth.edu/academic/department/chemistry/classes/chem/ch278/problems/irprobs.htm

      Infrared Basic Tutorial with practice problems California State University, Stanislaus


    Animated Infra-Red Spectroscopy (AIRS)  Interactive collection of spectra accompanied by animations of corresponding molecular vibrations. Developed by: Justin Ellsworth, Bryan Stramecki and Abby Parrill, Michigan State University

    IR-Tutor: A highly engaging, interactive tutorial program which provides a complete background of the theory and practice of IR used for structural analysis. http://www.columbia.edu/cu/chemistry/edison/IRTutor.html

      $29.95 from John Wiley http://www.wiley.com/Corporate/Website/Objects/Products/0,9049,16879,00.html


    FTIR Spectra tied to Chime and ChemDraw with molecular motion examples. Similar in idea to IR-Tutor
    http://wwwchem.uwimona.edu.jm:1104/spectra/IRIndex.html

    TeleSpec: IR Spectral Simulator
    http://www2.chemie.uni-erlangen.de/services/telespec/

    irYdium Project's IR simulator Carnegie Mellon; Java Applet
    http://ir.chem.cmu.edu/irproject/applets/spectro/Applet.asp

      Background http://ir.chem.cmu.edu/irproject/applets/spectro/


    IR Wizard from Steffan (St.) Thomas, University of Potsdam, Germany. A query based tool in English and German. Useful in self-learning-testing applications. Supply a wave number (cm-1) and a table of possibilities is produced with chemical functions that have the value within their range of peak frequencies. Pages are cleanly designed and the built-in search engine works well. 

    NIST Chemistry Webbook
    http://webbook.nist.gov/chemistry
    Free government database that includes numerous compounds. Provides a variety of data: physical, thermodynamic and spectroscopic. IR and MS spectra available for a portion of the compounds in the data base. An excellent resource.

    Calculate IR/Raman Spectra using Smiles strings:
    http://zabib.chemie.uni-erlangen.de/services/vrmlvib/index.html


    Mass Spectrometry:

    Mass Spectrometer Animated Tutorial Dr. Thomas Poon, Colby Collegemass spectrometer Shockwave Interactive Tutorial: Instrument Function, Data Generation, Intrepretation and More. (127 kB)
     

    Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:Spectroscopy
    Section VIc: Mass Spectroscopy
    Problem Set
    Mass Spectroscopy Problem Set


    Mass Spectrometry Tutorial California State University, Stanislaus

    MS Fragment Wizard from Steffan (St.) Thomas, University of Potsdam, Germany. A query based tool in English and German. Useful in self-learning-testing applications. Supply m/e value and a list of possibilities for the fragment or mass loss fragment is produced with links to exact mass and isotope distribution calculators. Pages are cleanly designed and the built-in search engine works well.

    Spectral Data Base System for Organic Compounds SDBS: Integrated Spectral Data Base System for Organic Compounds, a searchable database that contains: MS (ca 18,000 spectra), 13C NMR (ca 9,700 spectra), Compound Dictionary, 1H NMR (ca 10,100 spectra, 29,000 compounds) with plans to add ESR, IR and Raman.
     

    GC/MS for Chromatographers University of Akron GS/MS: A short course for chromatographers familiar with GC.


    NIST Chemistry Webbook
    http://webbook.nist.gov/chemistry
    Free government database that includes numerous compounds. Provides a variety of data: physical, thermodynamic and spectroscopic. IR and MS spectra available for a portion of the compounds in the data base. An excellent resource.


    UV/Visible:

    Background and Instrument Guide from Brian Tissue and the Chemistry Hypermedia Project
    http://www.chem.vt.edu/chem-ed/spec/uv-vis/uv-vis.html

    Theoretical Principles with quiz from Sheffield Hallam University
    http://www.shu.ac.uk/schools/sci/chem/tutorials/molspec/uvvisab1.htm

    Outline and problems: Neil Glagovich, Central Connecticut State University
    http://www.chemistry.ccsu.edu/glagovich/teaching/472/uvvis/uvvis.html

    Determine and unknown gas from its emission spectrum: Interactive Shockwave comparative activity from the Kansa State University
    http://phys.educ.ksu.edu/vqm/html/emission.html


    Questions & Problems:

    CombinedSpectroscopy Problems On-Line: Sixty four problems ( Containing IR, 1H and 13C NMR and MS, rated Easy, Moderate and Difficult; Answers available to Instructors.) From: Professor Smith's Group, University of Notre Dame.

    WebSpectra: Seventy two NMR and IR Problems, Prof. Craig Merlic UCLA
    http://www.chem.ucla.edu/~webspectra/

    Spectroscopy for the Organic Chemistry Student from Professor Paul R. Young: University of Illinois, Chicago Organic Chemistry OnLine:

        Multiple Choice Quiz: Spectroscopy


    Thirteen NMR Problems from the University of Sydney
    http://assign2.chem.usyd.edu.au/thirdyear/organic/field/nmr/index.htm


    Circular Dichroism Spectroscopy & Optical Rotatory Dispersion: (CD & ORD)

    Overview and Tutorial: Bernhard Rupp, Lawrence Livermore National Laboratory, X-ray Facility
    http://www-structure.llnl.gov/cd/cdtutorial.htm

    Circular Dichroism
    http://broccoli.mfn.ki.se/pps_course_96/ss_960723_21.html


    Astronomical Spectroscopy:

    Light, the sky and galaxies
    http://csep10.phys.utk.edu/guidry/violence/spectroscopy.html

    Spectroscopy in Astronomy University of Arizona
    http://loke.as.arizona.edu/~ckulesa/camp/spectroscopy_examples.html

    Astronomy Tutorial UCLA
    http://www.astro.ucla.edu/~wright/fluxplot.html

    Tutorial on Infrared Cal Tech
    http://www.ipac.caltech.edu/Outreach/Edu/Spectra/spec.html

    Learning from Light
    http://fuse.pha.jhu.edu/~wpb/spectroscopy/spec_home.html

    Virtual Spectroscope
    http://mo-www.harvard.edu/Java/MiniSpectroscopy.html