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) cm1.
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. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 15:(2013), pp. 6714-6718. [10.1039/c3cp50306b]
Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study
GOU, QIAN;FENG, GANG;EVANGELISTI, LUCA;CAMINATI, WALTHER
2013
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) cm1.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
