The rotational spectra of six isotopologues (CF335Cl•••14NH3, CF337Cl•••14NH3, CF335Cl•••15NH3, CF337Cl•••15NH3, CF335Cl•••14ND3 and CF337Cl•••14ND3) of the CF3Cl•••NH3 adduct have been investigated and analyzed by pulsed jet Fourier transform microwave spectroscopy. Rotational, centrifugal distortion and quadrupole (35Cl, 37Cl, 14N) coupling constants have been precisely obtained. The two subunits of the complex are held together via a Cl•••N halogen bond interaction. Information on the internal dynamics and on the dissociation energy of the complex is provided.
G.Feng, L.Evangelisti, N.Gasparini, W.Caminati (2012). On the Cl•••N Halogen Bond: A Rotational Study of CF3Cl•••NH3. CHEMISTRY-A EUROPEAN JOURNAL, 18, 1364-1368 [10.1002/chem.201101582].
On the Cl•••N Halogen Bond: A Rotational Study of CF3Cl•••NH3
FENG, GANG;EVANGELISTI, LUCA;CAMINATI, WALTHER
2012
Abstract
The rotational spectra of six isotopologues (CF335Cl•••14NH3, CF337Cl•••14NH3, CF335Cl•••15NH3, CF337Cl•••15NH3, CF335Cl•••14ND3 and CF337Cl•••14ND3) of the CF3Cl•••NH3 adduct have been investigated and analyzed by pulsed jet Fourier transform microwave spectroscopy. Rotational, centrifugal distortion and quadrupole (35Cl, 37Cl, 14N) coupling constants have been precisely obtained. The two subunits of the complex are held together via a Cl•••N halogen bond interaction. Information on the internal dynamics and on 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.
