An Ab initio Study of Dissociative Photoionization of Trichloromethylsilane(2001)

Absent Publics: Taiwan Biobank, Controversy, and Scientific Governance

Dissociative ionization of trichloromethylsilane has been investigated by photoionization and ab initio molecular orbital calculations. An ab initio study on the structures and energies of Si(CH3) Cl3 +, Si(CH3) 2Cl2 +, and Si(CH3) 3Cl+ radical cations and their fragment cations are carried out at the Gaussian-2 and Gaussian-3 levels using the Gaussian98 package. The results of ab initio calculations are applied to establish the dissociative photoionization channels of trichloromethylsilane near the ionization threshold. The comparisons between the results of PIE and threshold photoelectron spectroscopy(TPES) experiments and the energetic predictions based on ab initio calculations are useful in provideing great chemical insights concerning the photoionization and dissociative photoionizations of trichloromethylsilane.