The rotational spectra of two isotopologues (CF335Cl-CO and CF337Cl-CO) of the CF3Cl-CO adduct have been investigated and analyzed using supersonic-jet Fourier transform microwave spectroscopy, and found to have the features of a symmetric top. Rotational, centrifugal distortion, and nuclear quadrupole (35Cl and 37Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a Cl⋯C halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided.
Caminati, W., Evangelisti, L., Feng, G., Giuliano, B.M., Gou, Q., Melandri, S., et al. (2016). On the Cl⋯C halogen bond: A rotational study of CF3Cl-CO. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(27), 17851-17855 [10.1039/c6cp01059h].
On the Cl⋯C halogen bond: A rotational study of CF3Cl-CO
CAMINATI, WALTHER;EVANGELISTI, LUCA;FENG, GANG;GIULIANO, BARBARA MICHELA;GOU, QIAN;MELANDRI, SONIA;GRABOW, JENS-UWE
2016
Abstract
The rotational spectra of two isotopologues (CF335Cl-CO and CF337Cl-CO) of the CF3Cl-CO adduct have been investigated and analyzed using supersonic-jet Fourier transform microwave spectroscopy, and found to have the features of a symmetric top. Rotational, centrifugal distortion, and nuclear quadrupole (35Cl and 37Cl) coupling constants have been precisely obtained from high-resolution measurements. The two subunits of the complex are held together via a Cl⋯C halogen bond interaction. Information on the internal dynamics and the dissociation energy of the complex is provided.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
