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Electronic structure of phosphorus-containing nickel(II) chelates

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Abstract

A quantum-chemical CNDO/2 study of the π-accepting effect of the P=X group (X=O, S, Se) on metal d-AOs in Ni(II) complexes with ortho-phosphorylated phenol and its thio- and selenophosphoryl derivatives is described. It is inferred that the P=X group, which contains atoms with unoccupied d-AOs, exhibits a combined π-trans-accepting effect on the nickel 3dyz-AOs. According to the previous studies of S-containing chelates, this effect should result in the formation of cis-complexes. However, in the P=X-containing metal chelates, the formation of the cis-structure is inhibited by certain electronic and steric factors, which are studied in this work.

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Authors
  1. G. I. Bondarenko
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Additional information

Rostov State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 2, pp. 237–240, March–April, 1996.

Translated by I. Izvekova

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Bondarenko, G.I. Electronic structure of phosphorus-containing nickel(II) chelates. J Struct Chem 37, 206–209 (1996). https://doi.org/10.1007/BF02591048

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  • DOI: https://doi.org/10.1007/BF02591048

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