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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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Publication details

The article was received on 19 Oct 2013, accepted on 26 Nov 2013 and first published on 28 Nov 2013


Article type: Paper
DOI: 10.1039/C3CP54430C
Citation: Phys. Chem. Chem. Phys., 2014,16, 2149-2153

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    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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