[E0005]
|
Prof. Dr. Erich Kleinpeter Department of Chemistry University of Potsdam P.O.Box 69 15 53 D-14415 Potsdam Germany Phone: 0049-331-977-1764/Secr. 1774 Fax: 0049-331-977-1516/Secr. 1776 e-mail: [email protected] http://www.chem.uni-potsdam.de |
Dr. Steffen Thomas Department of Chemistry University of Potsdam P.O.Box 69 15 53 D-14415 Potsdam Germany Phone: 0049-331-977-1714 e-mail: [email protected] http://www.chem.uni-potsdam.de/~thomas/ |
At the University of Potsdam, Chemistry Department the following
teaching and working material is on-line available (http://www.chem.uni- potsdam.de/tools):
Received: 25 August 1999 / Uploaded: 31 August 1999
Incremental calculation of 13C chemical shifts of substituted benzenes, pyridines, pyridazines, biphenyls, 2,2�-bipyridyls, naphthalines, quinolines with and without ortho correction and numerical as well as graphical output, a 1H- Wizard for interpretation of 1H NMR spectra, a small 13C NMR data bank and a Complete Line Shape Analysis simulation of the non-coupled AB-case. Further, a number of surveys concerning chemical shifts (1H, 13C, 11B, 15N, 17O, 31P, 19F), nJH,H coupling constants, NMR solvents (physical data and 1H/13C NMR spectra) and the Periodical Table of the NMR elements (nucleus data, NMR characteristics) can be employed for structural search.
In addition, but still in German (http://www.chem.uni-potsdam.de/tools/index_de.html),
an on-line introduction into NMR spectroscopy together with an number of exercises
concerning spectroscopy (NMR as a special) and a small dictionary of NMR termini (the
latter two under permanent extension) can be recommended to teach the method in graduated
courses or themselves in an interactive way. A english version of of the Introduction to
the 1H- NMR spectroscopy is in preparation. the first working modell ist
available at http://www.chem.uni-potsdam.de/1hbuch/english/index.html.
Picture 1 shows the startpage of your site. On the left hand site you
have some navigation
tools and you can access the wizard directly. All other services are available under the
point tools.
For the intrepretation of IR Spectra a IR- Wizard is available. You can enter the wavenumber of a interesting vibration and the program gives you some possible structurals fragments to you. The following picture shows a sample output of this wizard.
In addition to the NMR and IR Wizards we have also a MS- Wizard available here!
All comments on this poster should be sent by e-mail to (mailto:[email protected] ona.edu)
[email protected] with E0005 as the message subject of your e-mail.