Title
The CH...π interaction in the halothane/ethene complex: a cryosolution infrared and Raman study The CH...π interaction in the halothane/ethene complex: a cryosolution infrared and Raman study
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Amsterdam ,
Subject
Chemistry
Source (journal)
Chemical physics letters. - Amsterdam
Volume/pages
469(2009) , p. 85-89
ISSN
0009-2614
ISI
000262801400017
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The formation of a CHð bonded complex between halothane, CF3CHBrCl, and ethene has been studied in liquid krypton in the temperature range between 119 and 143 K, using infrared and Raman spectroscopy. The standard complexation enthalpy of the 1:1 complex was measured to be −5.0(2) kJ mol−1. The stretching mode of the CH bond involved in the formation of the complex was observed to red shift by 7.2(1) cm−1, while its intensity increased by a factor of 2.1(2). The results are compared with ab initio calculations at the MP2/6-311++G(d,p) and MP2/aug-cc-PVXZ (X = D, T and Q) levels.
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