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Published on: December 16, 2013
The rotational spectrum of acetophenone-CO2: Preferred non-covalent interactions
Meng Li1, Juncheng Lei1, Gang Feng1
1Department of Chemistry, School of Chemistry and Chemical Engineering, Chongqing University, Daxuecheng South Rd. 55, 401331 Chongqing, China.
Abstract:
The rotational spectrum of the acetophenone-CO2 complex was investigated by pulsed jet-expansion Fourier transform microwave spectroscopy combined with ab initio calculations. In the supersonically cooled jet, only one isomer has been observed which is characterized by a dominant (CO2)C···O tetrel bond and a secondary (C-H)methyl∙∙∙O weak hydrogen bond. Johnson's non-covalent interaction, Bader's quantum theory of atoms in molecules and Symmetry-Adapted Perturbation Theory analyses have been applied to understand better the nature of non-covalent interactions in the acetophenone-CO2 complex.
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