Ligand effect on chlorine electron density distribution in titanium tetrachloride complexes

G. N. Dolenko, B. A. Gostevskii, O. Kh Poleshchuk, J. Latosinska, M. Ostafin, M. A. Belogolov, M. V. Grechneva

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Abstract

C1 Kα line shifts and ³⁵Cl NQR frequencies have been measured for series of titanium tetrachloride complexes. Nonempirical calculations of corresponding free ligands have been carried out on the MP2/6-31G* level. Dependencies of the experimental data obtained on experimental and calculated parameters of ligand donor ability have been analyzed. It is shown that the electron density on acceptor chlorine atoms and the electric field gradient on their nuclei are determined at first by the polarizing effect of the ligand.

Original language	English
Pages (from-to)	177-181
Number of pages	5
Journal	Heteroatom Chemistry
Volume	11
Issue number	3
DOIs	https://doi.org/10.1002/(SICI)1098-1071(2000)11:3<177::AID-HC2>3.0.CO;2-Y
Publication status	Published - 2000

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Dolenko, G. N., Gostevskii, B. A., Poleshchuk, O. K., Latosinska, J., Ostafin, M., Belogolov, M. A., & Grechneva, M. V. (2000). Ligand effect on chlorine electron density distribution in titanium tetrachloride complexes. Heteroatom Chemistry, 11(3), 177-181. https://doi.org/10.1002/(SICI)1098-1071(2000)11:3<177::AID-HC2>3.0.CO;2-Y

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AU - Dolenko, G. N.

AU - Gostevskii, B. A.

AU - Poleshchuk, O. Kh

AU - Latosinska, J.

AU - Ostafin, M.

AU - Belogolov, M. A.

AU - Grechneva, M. V.

PY - 2000

Y1 - 2000

N2 - C1 Kα line shifts and 35Cl NQR frequencies have been measured for series of titanium tetrachloride complexes. Nonempirical calculations of corresponding free ligands have been carried out on the MP2/6-31G* level. Dependencies of the experimental data obtained on experimental and calculated parameters of ligand donor ability have been analyzed. It is shown that the electron density on acceptor chlorine atoms and the electric field gradient on their nuclei are determined at first by the polarizing effect of the ligand.

AB - C1 Kα line shifts and 35Cl NQR frequencies have been measured for series of titanium tetrachloride complexes. Nonempirical calculations of corresponding free ligands have been carried out on the MP2/6-31G* level. Dependencies of the experimental data obtained on experimental and calculated parameters of ligand donor ability have been analyzed. It is shown that the electron density on acceptor chlorine atoms and the electric field gradient on their nuclei are determined at first by the polarizing effect of the ligand.

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10.1002/(SICI)1098-1071(2000)11:3<177::AID-HC2>3.0.CO;2-Y