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Theoretical study of the structure of acyclic diaminocarbene ligands in Pd(II) complexes

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Abstract

The electronic and steric features of acyclic aminohydrazinocarbene ligands in palladium(II) complexes are studied by the DFT method. It was found that most of the studied complexes prefer an amphi-2 conformation over all the other possible conformations. At the same time, in the ligand containing a hydrazide fragment more stable is a syn conformation. The basicity and nucleophilicity of the title ligands are much higher compared to the respective characteristics of the triphenylphosphine ligand and close to those of bis-(diisopropylamino)carbene.

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Authors and Affiliations

  1. St. Petersburg State University, Universitetskii pr. 26, St. Petersburg, 198504, Russia

    I. A. Boyarskaya & V. P. Boyarskii

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  1. I. A. Boyarskaya
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  2. V. P. Boyarskii
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Correspondence to I. A. Boyarskaya.

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Original Russian Text © I.A. Boyarskaya, V.P. Boyarskii, 2015, published in Zhurnal Obshchei Khimii, 2015, Vol. 85, No. 4, pp. 654–658.

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Boyarskaya, I.A., Boyarskii, V.P. Theoretical study of the structure of acyclic diaminocarbene ligands in Pd(II) complexes. Russ J Gen Chem 85, 894–898 (2015). https://doi.org/10.1134/S1070363215040222

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