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Vibrational analysis of some cyclopropyl derivatives

Mohaček Grošev, Vlasta; Furić, Krešimir (1992) Vibrational analysis of some cyclopropyl derivatives. Journal of Molecular Structure, 266 (1). pp. 321-326. ISSN 0022-2860

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Vibrational frequencies of various conformers of dicyclopropylacetylene C8H10 are calculated for the first time using the empirical valence force field constructed from those of bicyclopropyl trans and diphenylacetylene molecule. Possible molecular structures of dicyclopropylacetylene are discussed on the basis of broad bands observed for liquid state bellow 600 cm− 1. Both for bicyclopropyl trans and gauche conformers the valence force field of cyclopropane served as a starting point. Several bicyclopropyl force constants are found to be conformation sensitive.

Item Type: Article
Additional Information: NOTICE: this is the author’s version of a work that was accepted for publication in Journal of Molecular Structure. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Molecular Structure, 266, 1, March 1992. DOI: 10.1016/0022-2860(92)80086-W
Uncontrolled Keywords: cyclopropyl; bicyclopropyl; dicyclopropylacetylene; Raman; infrared; normal coordinate analysis
Subjects: NATURAL SCIENCES > Physics
Divisions: Division of Materials Physics
Depositing User: Vlasta Mohaček Grošev
Date Deposited: 20 Dec 2013 10:56
DOI: 10.1016/0022-2860(92)80086-W

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