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Issue 18, 2013
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Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study

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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

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Publication details

The article was received on 22 Jan 2013, accepted on 22 Feb 2013 and first published on 01 Mar 2013


Article type: Paper
DOI: 10.1039/C3CP50306B
Citation: Phys. Chem. Chem. Phys., 2013,15, 6714-6718

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    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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