Issue 18, 2013

Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study

Abstract

The rotational spectra of three isotopologues of the 1 : 1 complex between difluoromethane and formaldehyde have been observed and assigned using pulsed jet Fourier transform microwave spectroscopy. The formaldehyde lies in the FCF plane of difluoromethane, linked through a C–H⋯F and a bifurcated CH2⋯O weak hydrogen bonds. The rotational transitions are split into two component lines with a relative intensity ratio of 1 : 3, due to the internal rotation of the formaldehyde moiety along its symmetry axis. The barrier to this motion has been estimated by using a flexible model to be V2 = 180(10) cm−1.

Graphical abstract: Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study

Supplementary files

Article information

Article type
Paper
Submitted
22 Jan 2013
Accepted
22 Feb 2013
First published
01 Mar 2013

Phys. Chem. Chem. Phys., 2013,15, 6714-6718

Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study

Q. Gou, G. Feng, L. Evangelisti, M. Vallejo-López, A. Lesarri, E. J. Cocinero and W. Caminati, Phys. Chem. Chem. Phys., 2013, 15, 6714 DOI: 10.1039/C3CP50306B

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