Ab Initio Determination of the Force Field of Dichloromethane, Verified by Gas-Phase Infrared Frequencies and Intensities and Applied to a Combined Electron Diffraction and Microwave Investigation of Geometry
Author:
Affiliation:
1. University of Antwerp (UIA), Department of Chemistry, Universiteitsplein 1, B-2610 Wilrijk, Belgium
2. University of Antwerp (RUCA), Department of Inorganic Chemistry, Groenenborgerlaan 171, B-2020 Antwerp, Belgium
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9707192
Reference48 articles.
1. Molecular vibrational constants of some simple polyatomic molecules: trihalogenomethanes, CHX3 and trihalogenosilanes, SiHX3 (X = F, Cl, Br)
2. Methacrolein in the gas phase, investigated by electron diffraction, microwave and vibrational spectroscopy, supplemented with ab initio calculations of geometries and force fields
3. The harmonic force fields of methylene chloride and dichlorosilane from combined microwave and infrared data
4. Absolute Raman intensities, force constants, and electro-optical parameters of CH2Cl2, CD2Cl2 and CHDCl2
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2. Anharmonic Vibrational Analysis of Dihalogenomethanes and Dihalogenoethanes by Density-Functional Theory Calculations;Bulletin of the Chemical Society of Japan;2019-12-15
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