Chemistry

Useful Links to Chemistry-Related Web Sites

Operational Guides to Departmental Instrumentation

NMR-Related Instruction Manuals

FTIR Instructions

GC-MS Instructions

Useful Links to Chemistry-Related Web Sites

American Chemical Society Journals
Click on "Journals and Magazines" for the list of all ACS Journals, and proceed directly to the journal of interest, or click on "Search the Journals" to do basic searches on all of the ACS Journals.

Web of Knowledge
Access to the Web of Science (citation indexes) and to current contents connect.

SciFinder Scholar
Carleton has a license for this very powerful search tool offered by the Chemical Abstracts Service of the American Chemical Society. This link takes you to a library information page on the search tool. It is available for use on computers in Mudd Hall and the Library.

The NIST Chemistry Webbook
Lots of useful chemical information, including formulae, structures, thermodynamic data, and spectra (MS, IR, etc.).

Spectral Database of Organic Compounds, SDBS
An extremely useful spectral database with information on thousands of organic compounds. Here you'll find mass spectra, proton and carbon NMR spectra, IR spectra, and even some ESR spectra of selected organic radicals.

ChemFinder
A really useful database to find facts about various chemicals. You can search on name, formula, molecular weight, CAS registry number, or structure and find info about all of the others.

Directory of Graduate Research
This is a great reference for students considering graduate school in the chemical sciences. You can quickly access information on faculty members and research programs at all U.S. graduate schools in chemistry, chemical engineering, materials science, and biochemistry. Click "DGRweb" for the on-line version of the directory.

Webelements
A fantastic online periodic table!

NMR-Related Instruction Manuals

• Routine NMR Operating Instructions
• MESTREC Guide (for processing routine 1D NMR spectra)
• Using eXceed
• Guide to the Inversion-Recovery Experiment (T1 measurements)
• Guide to DEPT
• Guide to COSY
• Guide to HETCOR
• The Varian Unity-Plus NMR Online Manual can be found in Courses, following this path: Courses/Tools/chem/Windows/Chemistry/NMR documentation/UNITY

A note about changing the spectral window (sw) in an NMR experiment

You will likely be needing to change the spectral window for various NMR experiments and the movesw command allows you to easily set the desired spectral window interactively.

For instance, suppose you suspected that you had some resonances shifted outside the ppm range of that provided with the standard parameter set (for instance, a carboxylic acid OH). A simple and quick way to set the appropriate window would be to run a one-scan spectrum with a very large spectral window, then use the movesw command, interactively, to set the desired window.

1. Set sw to a very large number, say 30,000Hz (type sw = 30000). This will ensure that the window is large enough to include the unusually shifted peaks.
2. Take a quick 1-scan spectrum. Locate the peaks of interest and expand the window around the window of interest.
3. With the correct window displayed, type movesw, and the sw (and tof) gets set to the proper window.

When doing a 2D NMR experiment, it is generally best to make the spectral window as small as possible -- just big enough to include all the peaks of interest. Again, use the movesw command to set the proper window.