Electronic structures of SbCl5.L and SnCl4.L2 complexes were studied by the semiempirical PM3 method. The results were compared with the data from 35Cl NQR and 121Sb NQR studies and Mossbauer spectra. A good correlation was obtained between the calculated and experimental values of quadrupole coupling constants. The calculated energies of the donor acceptor bond formation were compared with the degree of electron density transfer. The derived correlation dependences between the above two parameters suggest different properties for cis and trans complexes.
ASJC Scopus subject areas
- Structural Biology
- Organic Chemistry
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics
- Computational Theory and Mathematics