Analysis of the changes in dipole moments upon complexation

Abstract

The K_α shifts in the X-ray fluorescence spectra of the aluminum tribromide complexes with phosphorus-containing ligands are calculated. The analysis of the complexation-induced changes in the dipole moments of donors is performed. A comparison of the dipole moments, calculated for the complexes using the PM3 and AM1 methods, with those obtained by the vector scheme and molecular mechanics method shows that the changes in the dipole moment of a donor should be taken into account when considering the complexation-induced increase in dipole moments.

Original language	English
Pages (from-to)	694-697
Number of pages	4
Journal	Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
Volume	23
Issue number	10
Publication status	Published - Oct 1997

ASJC Scopus subject areas

Inorganic Chemistry

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Poleshchuk, O. K., Dolenko, G. N., & Latoshinska, I. (1997). Analysis of the changes in dipole moments upon complexation. Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya, 23(10), 694-697.

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title = "Analysis of the changes in dipole moments upon complexation",

abstract = "The Kα shifts in the X-ray fluorescence spectra of the aluminum tribromide complexes with phosphorus-containing ligands are calculated. The analysis of the complexation-induced changes in the dipole moments of donors is performed. A comparison of the dipole moments, calculated for the complexes using the PM3 and AM1 methods, with those obtained by the vector scheme and molecular mechanics method shows that the changes in the dipole moment of a donor should be taken into account when considering the complexation-induced increase in dipole moments.",

author = "Poleshchuk, {O. Kh} and Dolenko, {G. N.} and I. Latoshinska",

year = "1997",

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language = "English",

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AU - Poleshchuk, O. Kh

AU - Dolenko, G. N.

AU - Latoshinska, I.

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N2 - The Kα shifts in the X-ray fluorescence spectra of the aluminum tribromide complexes with phosphorus-containing ligands are calculated. The analysis of the complexation-induced changes in the dipole moments of donors is performed. A comparison of the dipole moments, calculated for the complexes using the PM3 and AM1 methods, with those obtained by the vector scheme and molecular mechanics method shows that the changes in the dipole moment of a donor should be taken into account when considering the complexation-induced increase in dipole moments.

AB - The Kα shifts in the X-ray fluorescence spectra of the aluminum tribromide complexes with phosphorus-containing ligands are calculated. The analysis of the complexation-induced changes in the dipole moments of donors is performed. A comparison of the dipole moments, calculated for the complexes using the PM3 and AM1 methods, with those obtained by the vector scheme and molecular mechanics method shows that the changes in the dipole moment of a donor should be taken into account when considering the complexation-induced increase in dipole moments.

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