The rotational spectra of three isotopologues, CH235Cl2···20Ne, CH235Cl37Cl···20Ne, and CH235Cl2···22Ne, of the complex dichloromethane-neon have been assigned and measured by molecular beam Fourier transform microwave spectroscopy. The corresponding tunnelling splittings-due to the motion of Ne from above to below the ClCCl plane-have been determined as E0+0- = 6.8900(5), 6.6630(4), and 6.3724(7) MHz, respectively. From these data the barrier to planarity has been obtained, B2 = 68.7 cm-1. In addition, the structure and the 35Cl (or 37Cl) quadrupole coupling constants have been determined.
Favero, L.B., Maris, A., Paltrinieri, L., Caminati, W. (2015). Rotational Spectrum of Dichloromethane-Ne: Internal Dynamics and Cl Quadrupolar Hyperfine Effects. JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY, 119(49), 11813-11819 [10.1021/acs.jpca.5b09090].
Rotational Spectrum of Dichloromethane-Ne: Internal Dynamics and Cl Quadrupolar Hyperfine Effects
MARIS, ASSIMO;PALTRINIERI, LAURA;CAMINATI, WALTHER
2015
Abstract
The rotational spectra of three isotopologues, CH235Cl2···20Ne, CH235Cl37Cl···20Ne, and CH235Cl2···22Ne, of the complex dichloromethane-neon have been assigned and measured by molecular beam Fourier transform microwave spectroscopy. The corresponding tunnelling splittings-due to the motion of Ne from above to below the ClCCl plane-have been determined as E0+0- = 6.8900(5), 6.6630(4), and 6.3724(7) MHz, respectively. From these data the barrier to planarity has been obtained, B2 = 68.7 cm-1. In addition, the structure and the 35Cl (or 37Cl) quadrupole coupling constants have been determined.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
