A study of electronic structure of SbCl5.L and SnCl4.L2 complexes by the PM3 method |
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Authors: | OKh Poleshchuk J Koput JN Latosińska B Nogaj |
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Institution: | O. Kh. Poleshchuk, J. Koput, J. N. Latosi
ska,B. Nogaj |
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Abstract: | 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 Mössbauer 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. |
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Keywords: | Mössbauer spectroscopy Nuclear quadrupole resonance spectroscopy PM3 calculation |
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