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Spectroscopy Letters
An International Journal for Rapid Communication
Volume 18, 1985 - Issue 6
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Original Articles

Calculation of the Interatomic Force Constants of Pyrazole

R. Bouché UCL., 73, Av. E. Mounier, 1200, Bruxelles, (Belgium)
,
A. Vanclef Faculté Polytechnique de Mons, (Belgium)
&
L. Coclers UCL., 73, Av. E. Mounier, 1200, Bruxelles, (Belgium)
Pages 473-480 | Received 30 Nov 1984, Accepted 10 Apr 1985, Published online: 06 Dec 2006
 
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Abstract

In the frame of a more complete study on the tautomery of the pyrazolines-5-ones, the authors determined the normal vibration modes of pyrazole. They calculate the interatomic force constants by means of a “simplex” optimisation procedure (1).

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