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

Qian Gou; Gang Feng; Luca Evangelisti; Montserrat Vallejo-López; Alberto Lesarri; Emilio J. Cocinero; Walther Caminati

doi:10.1039/C3CP50306B

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

Qian Gou,^a Gang Feng,^a Luca Evangelisti,^a Montserrat Vallejo-López,^ab Alberto Lesarri,^b Emilio J. Cocinero^c and Walther Caminati*^a

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* Corresponding authors

^a Department of Chemistry, University of Bologna, Via Selmi 2, I-40126 Bologna, Italy
E-mail: walther.caminati@unibo.it
Fax: +39 051-2099456

^b Departamento de Química Física y Química Inorgánica, Universidad de Valladolid, E-47011 Valladolid, Spain

^c Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, (UPV-EHU), Apartado 644, E-48940 Bilbao, Spain

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.

This article is part of the themed collection: Bunsentagung 2013: 'Theory meets Spectroscopy'

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Article information

DOI: https://doi.org/10.1039/C3CP50306B
Article type: Paper
Submitted: 22 Jan 2013
Accepted: 22 Feb 2013
First published: 01 Mar 2013

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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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