Abstract
Analysis of changes in 35Cl NQR frequency of complexes MCl 4.L and MCl 4.2L for M = Si, Ge, Sn and Ti was performed. The population of the atomic orbitals was calculated by the quantum chemistry methods PM3 and INDO. The results provided an explanation of the changes in 35Cl NQR frequency and the asymmetry parameter upon complex formation. In the complexes of non-transition elements, a decrease in 35Cl NQR frequency is first of all related to increasing population of p z orbitals on Cl atoms. In the complexes of Ti, the increase in 35Cl NQR frequency depends on a decrease in the p π to d π electron density transfer.
Published Version
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