IR NMR VIS/UV X-ray MS g-ray

"What is the frequency, Kenneth?"

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ACDLabs   Advanced Chemistry Development  


Makers of really useful software -- some of it available free! ACD ChemSketch, HNMR, CNMR, .... some of it is compatible with CS ChemOffice as well.

Analytical Instruments and Spectroscopic Concepts by Thomas G. Chasteen at Sam Houston State University, Huntsville, TX


hydride generation atomic absorption spectroscopy,  gas chromatographic detectors, Shockwave flash,  Quicktime movies,  GIF animations, polar stratospheric clouds, atomic emission detector, pulsed flame photometric detector, GC/MS, monochromator, Rutherford, copper amine complex, chemiluminescence, PMT, photomultiplier, ECD, electron capture detector...

Element Emission/Absorption Spectra by Dave Caley at U Oregon 



pick spectrum type desired, click on an element and its spectrum instantly appears above the table!  And isn't that table colorful! I like it so much I repeated this listing

Spectra of Gas Discharges by John Talbot at U Ottawa



spectra for the light elements shown at left and some heavier ones

Digitized Spectral Data Resource Page by John Talbot at U Ottawa


links to a host of sites with spectral data -- mostly astronomically oriented

g   Gamma- Ray Spectroscopy: gammaspec.org at U Liverpool


register and gain access to comprehensive coverage of all aspects of high-resolution gamma-ray spectroscopy




another sign-up site, run by Thermo Nicolet

Indiana University Laboratory for Spectrochemistry


as they say, "better measurements through spectrochemical research"

IR spectra database at U Texas



IR Basic Tutorial by Jim Byrd at CSU Stanislaus


very useful introduction with selected spectra illustrating characteristic functional group absorptions

"What Is an Infrared Spectrum?" by Jim Clark, Cornwall, UK


a really fine introduction to IR by Jim Clark, retired head of science at the Truro School in Cornwall. Designed to prepare UK students for their A-level exams, it's of great value to anyone needing an orientation to IR.

IR Spectroscopy Tutorial by Patty Feist at the University of Colorado


Really fine -- the kind I would have liked to have written -- if only I had the time! Covers the major functional groups with annotated spectra showing characteristic peaks. A winner!

Chime-based IR spectral site by Robert J. Lancashire at the University of the West Indies, Mona, Jamaica


An alternate version of this site by Paul Lahti, Allison Rafuse, Eric Motyka at U. Mass and Robert Lancashire at UWI Mona is at

I have it on good authority [RJL] that clicking on a peak in the IR will load a Chime animation file of the corresponding vibrational mode. Unfortunately, I have not yet been able to access the site to see for myself. Apparently there are firewall issues at my end.
The U. Mass version works great -- I particularly recommend seeing p-xylene doing its sexy little shimmy!

Infrared Spectroscopy by Ron Rinehart
at Monterey Peninsula College & California State University Monterey Bay


has the sites listed above and more, as well as a "Primary Clues" page with the main characteristic IR absorptions for common functional groups linked to drawings of the typical peaks and the summary self-test seen at the left.


NIST Chemistry Web Book


 thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program. Has formula/name searchable database including many gas-phase IR spectra.

Ion SourceSM Mass Spectrometry and Biotechnology Resource 

by Andrew Guzzetta


links, tutorials....

MERLOT homepage Multimedia Education Resource for Learning and Online Teaching

http://taste.merlot.org/  the "tasting room"

http://www.merlot.org/Home.po   the home page

http://chemistry.merlot.org/Home.po   the chemistry section

BrowseArtifacts.po-catcode=97&browsecat=1 cool chem stuff

A free and open resource for faculty and students in higher education, MERLOT is the product of a consortium of (mostly) public institutions of higher education [including CCC's and CSU] with divisions devoted to biology, business, chemistry, engineering, health science, history, information technology, mathematics, music, physics, psychology, and teacher education.

NMR Basics by Joseph P. Hornak at Rochester Institute of Technology


  wow!!!!!! A thorough presentation of theory and practice

NMR resources at  UTMB U Texas Medical Branch, Galveston  


I liked the look of their page so much that I swiped the header and background for this one!!!!!!

"NUTS" NMR software from Acorn


shareware available; needed for PLU FTNMR archive below

Pacific Lutheran University FTNMR FID Archive


get Acorn's NUTS software to use this site

NMR at Widener University by Scott Van Bramer


Scott organized the Winter 1999 CONFCHEM on "Teaching Spectroscopy" 




Integrated Spectral Data Base  from the National Institute of Materials & Chemical Research, Japan


I've seen comments by others saying that for spectra searching, this site was the most useful they had visited 

Pigments through the Ages from webexhibits.org


I found this great site during a Google search for the structure of Prussian blue. Organized by pigment color, ths site gives overview, history, chemical name, formula, rotating 3-D model [non-Chime, unfortunately], crystal system, prep methods, links to Raman spectra, and other info for 42 paint pigments.


Roma's Home Page at Queen's University of Belfast


Roma Oakes is a postgraduate student of chemistry at 
The School of Chemistry, Queen's University of Belfast

Her research involves using computational chemistry techniques (in particular, Density Functional Theory) to help to explain and interpret the Raman spectra and vibrational modes of various molecular systems. And her attractively laid-out web site has many useful spectroscopy, Chime, and other chemistry links, including one to this very page!

Spectral Zoo by Jennifer Muzyka at Centre College


spectral problems: unknowns with molecular formula, IR, 1H-NMR

  CHEM 316 Spectroscopic Identification of Organic Compounds
by Neil Glagovich at Central Connecticut State University


another one of those "This is the way I should have done it" sites -- a winner!


Spectroscopic Tools by Steffan Thomas at Universität Potsdam


Has "Wizards" for 1H-NMR, IR, and MS and a 13C-NMR database; the  wizards displays possible groups corresponding to the chemical shift, frequency, or m/e entered. Also useful data on NMR solvents and other goodies. Auf englisch oder deutsch, natürlich.

Spectroscopy and General Chemistry by Walt Volland at Bellevue CC, Washington


nicely presented background information and discussion of emission spectra

Spectroscopy Site from The Squier Group at UC San Diego


PowerPoint-type presentations of many aspects of spectroscopy. Jeff Squier's group is the successor to that of the late Kent Wilson, who originated much of what is at this site.

spectroscopyNOW.com from John Wiley and Sons, Inc.


Brand new!  Wiley calls this the  'most comprehensive online spectrocopy resource'   It now has sections for atomic, chemometrics, IR, MS, NMR, Raman,  UV, and X-ray spectroscopy.  Has news, feature articles, library/bookshop, jobs, conference info, and more ..... 

Spektrus by Mikolai Pytel


freeware program [3.5 Mb] displaying graphic UV, vis, and IR emission spectra for elements 1 to 99

Teaching Spectroscopy -- the Winter 1999 CONFCHEM



Spectra Online

ThermoGalactic Spectra Online


sign up [not free] and search a database with 26,000 compounds


"The Tools of the Second Chemical Revolution: Instrumental History and Design" by Christopher J. Brubaker and David L. Powell at The College of Wooster, OH


A senior independent study project, this site provides an excellent introduction  to the history, instrumentation, and basic theory of IR, UV/VIS, and NMR spectroscopy  as well as pH measurement.

Tunable Monochromater by Thomas G. Chasteen at Sam Houston State University, Huntsville, TX


crank it up and let 'er rip!

UV/VIS Spectroscopy by Nanette Wachter-Jurcsak at Hofstra University


A PowerPoint basic introduction 

Organic Structure Elucidation
by Bradley D Smith, Bill Boggess, and Jaroslav Zajicek
at the
University of Notre Dame


"...online workbook  developed for senior undergraduate and graduate students learning to solve the structures of organic compounds from spectroscopic data. Most problems contain an IR spectrum (film or KBr pellet), a 500 MHz 1H NMR spectrum, a 125 MHz 13C NMR spectrum, and a 70 eV electron ionization Mass Spectrum...."
64 problems classified by degree of difficulty -- a winner!


Webspectra Problems in NMR and IR Spectroscopy by Craig A. Merlic, Barry C. Fam, et al. at UCLA


75 problems, all with 1H and 13C spectra, some with additional spectral information. Also has useful links. Another definite winner.

X-ray Spectra from Lawrence Berkeley Natinal Lab


X marks the spot!

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Last update  4 / 21 / 05