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
Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F / Lorenzo Spada;Qian Gou;Montserrat Vallejo-López;Alberto Lesarri;Emilio J. Cocinero;Walther Caminati. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 16:(2014), pp. 2149-2153. [10.1039/c3cp54430c]
Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F
SPADA, LORENZO;GOU, QIAN;CAMINATI, WALTHER
2014
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-1I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
