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Chiral force constants: Recommendations for the presentation of internal coordinate force constants

✍ Scribed by P.L. Polavarapu

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
166 KB
Volume
14
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

Some force constants associated with the internal coordinates that sense handedness or chirality can have opposite signs in the enantiomers of chiral molecules. Examples of such force constants include interaction force constants between a torsional and stretching or bending internal coordinates. The sign reversal for these force constants in the enantiomers of chiral molecules or in opposite‐handed molecular segments is best recognized by labeling them as chiral force constants. Recognition of chiral force constants suggests that certain guidelines are to be followed in the presentation of internal coordinate force constants. © 1993 by John Wiley & Sons, Inc. © John Wiley & Sons, Inc.

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