Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study
文献情報
Qian Gou, Gang Feng, Luca Evangelisti, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati
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.
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