Force field for in-plane vibrations of isophthalonitrile

descriptionPublicationkeyboard_double_arrow_right Article 01 Apr 1989 English Publisher:Springer Science and Business Media LLCJournal:Monatshefte f�r Chemie Chemical Monthly, volume 120, pages 273-281 (issn: 0026-9247, eissn: 1434-4475,

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Authors: Juan F. Arenas; Juan I. Marcos; Francisco J. Ramirez;

doi: 10.1007/bf00811739

Force field for in-plane vibrations of isophthalonitrile

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Abstract

The general quadratic force field for the in-plane vibrations of isophthalonitrile was calculated by the semi-empirical MINDO/3 method. This force field was refined to the frequencies observed experimentally for isophthalonitrile and isotopic shifts of isophthalonitrile-15N2. The normal coordinates and the force field in internal coordinates were also calculated from the refined field.

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University of Malaga
Spain

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