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.
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. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 18:27(2016), pp. 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.
