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)329SiI, (CH3)330SiI, 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.