The molecular beam Fourier transform microwave spectrum of 1,4-dioxane-trifluoromethane has been assigned and measured. The two subunits form a cage stabilized by one C-HâââO and two C-HâââF weak hydrogen bonds. The C-HâââO link involves the axial lone pair of one of the two equivalent ring oxygens, while the two C-HâââF bridges connect trifluoromethane to the two axial hydrogens in positions 3 and 5. The dissociation energy has been estimated from the DJ centrifugal distortion parameter to be 6.8 kJ/mol.
L.B. Favero, B.M. Giuliano, S. Melandri, A. Maris, P. Ottaviani, B. Velino, et al. (2005). CH×××O and CH×××F links form the Cage structure of Dioxane–Trifluoromethane. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, 109, 7402-7404 [10.1021/jp0527599].
CH×××O and CH×××F links form the Cage structure of Dioxane–Trifluoromethane
GIULIANO, BARBARA MICHELA;MELANDRI, SONIA;MARIS, ASSIMO;OTTAVIANI, PAOLO;VELINO, BIAGIO;CAMINATI, WALTHER
2005
Abstract
The molecular beam Fourier transform microwave spectrum of 1,4-dioxane-trifluoromethane has been assigned and measured. The two subunits form a cage stabilized by one C-HâââO and two C-HâââF weak hydrogen bonds. The C-HâââO link involves the axial lone pair of one of the two equivalent ring oxygens, while the two C-HâââF bridges connect trifluoromethane to the two axial hydrogens in positions 3 and 5. The dissociation energy has been estimated from the DJ centrifugal distortion parameter to be 6.8 kJ/mol.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
