Internal rotation, quadrupole coupling and structure of (CH3)3SiI studied by microwave spectroscopy and ab-initio calculations

The microwave spectrum of (CH3)3SiI and its isotopic species (CH3)3 29SiI, (CH3)3 30SiI, and (13CH3)(CH3)2SiI has been studied using a pulsed molecular beam Fourier transform microwave spectrometer in the frequency range of 3–26.5 GHz. The barrier to internal rotation, the iodine quadrupole coupling and the molecular structure were determined. Ab initio calculations were compared with the experimental results. q 2005 Elsevier B.V. All rights reserved.