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Light and deuterated acetonitrile: an unresolved casus?
Author(s) -
Morresi A.,
Ombelli M.,
Sassi P.,
Santini S.
Publication year - 2002
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.818
Subject(s) - acetonitrile , deuterium , raman spectroscopy , chemistry , infrared , molecule , kinetic isotope effect , computational chemistry , organic chemistry , physics , optics , atomic physics
In spite of its high degree of symmetry and its simple structure, the physical and dynamic properties of acetonitrile are far from completely understood. In particular, the behaviour of deuterated acetonitrile does not follow the usual rules of isotopic substitution and consequently, it is not directly connected to the characteristics of the light molecule. Simple infrared and Raman experimental data on pure CH 3 CN and CD 3 CN together with isotopic and chemical equimolar mixtures the two are illustrated in detail; a qualitative interpretation is possible if it is accepted that the isotopic substitution can substantially modify the local organization of these molecular liquids. Copyright © 2002 John Wiley & Sons, Ltd.