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Title:THE MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF 1-CHLORO-1-FLUOROETHYLENE–HYDROGEN CHLORIDE
Author(s):Leung, Helen O.
Contributor(s):Marshall, Mark D.; Hoque, Laboni
Subject(s):Mini-symposium: Non-covalent Interactions
Abstract:Recent examples of complexes formed between hydrogen chloride and chlorofluoroethylenes have revealed unexpected and surprising structures. To the contrary, the analysis of the microwave rotational spectrum of 1-chloro-1-fluoroethylene-hydrogen chloride shows that it has the ``top binding to fluorine’’ structure typical of earlier dihaloethylene-HCl complexes. However, this result is not predicted by the MP2/6-311++G(2d, 2p) model chemistry on which we had been relying, even when corrected for basis set superposition error. The success of various model chemistries in predicting the experimental result is discussed.
Issue Date:2019-06-18
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104301
DOI:10.15278/isms.2019.TB07
Rights Information:Copyright 2019 Helen O. Leung
Date Available in IDEALS:2019-07-15
2020-01-25


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