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Issue 5, 2014
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Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F

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Abstract

The pulsed-jet Fourier transform rotational spectra of 4 isotopologues have been recorded for the most stable conformation of the molecular cluster pyridine–CH3F. Two weak C–H⋯N and C–H⋯F hydrogen bonds link the two subunits of the complex. Structural information on the hydrogen bridges has been obtained. The internal rotation of the CH3F subunit around its symmetry axis splits all rotational transitions into two (A and E) well resolved component lines, leading to a V3 barrier height of 1.55(1) kJ mol−1.

Graphical abstract: Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F

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Supplementary files

Article information


Submitted
19 Oct 2013
Accepted
26 Nov 2013
First published
28 Nov 2013

Phys. Chem. Chem. Phys., 2014,16, 2149-2153
Article type
Paper

Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F

L. Spada, Q. Gou, M. Vallejo-López, A. Lesarri, E. J. Cocinero and W. Caminati, Phys. Chem. Chem. Phys., 2014, 16, 2149
DOI: 10.1039/C3CP54430C

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