Phosphorus, Sulfur, and Silicon and the Related Elements, ( ISI ), Volume (194), No (1), Year (2019-2) , Pages (39-46)

Title : ( The first X-ray crystal structure of a mercury(II) complex with an SP(N)3-based ligand: Synthesis and crystal structure of SP(NC5H10)3 and [Hg{SP(NC5H10)3}Cl2]2 )

Authors: Maryam Taherzadeh , Mehrdad Pourayoubi , Marek Nečas ,

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Abstract

The synthesis, spectral characteristics -IR and NMR-, elemental analysis and X-ray crystal structure of phosphorothioic triamide SP-NC5H10-3 -1- and its dinuclear mercury-II- complex [Hg2-μ-Cl-2-Cl-2{SP-NC5H10-3}2] -2- were investigated. A survey using the Cambridge Structural Database -CSD, version 5.38, May 2017- shows structures of coordination compounds of Au, Ag, Cd, Cu, Li, Mo, Ni, Pd, Te, Ti, Zn, and Zr with sulfur-donor SP-N-3-based ligands; the complex 2 is the first example of a mercury complex with the SP-N-3-based ligand studied by X-ray crystallography. Valence bond calculation was performed for the Hg–S bond in 2 and compared with the Hg–O bond in the only structure with a Cl2Hg–OP-N-3 structural motive in the CSD. The calculation confirms a more covalent nature of the Hg–S bond with respect to the Hg–O bond made by the EP-N-3-based ligands -E = S, O-. The supramolecular structures based on C–H···S = P contacts in 1 and C–H···S═P and C–H···Cl–Hg assemblies in 2 are discussed.

Keywords

, Phosphorothioic triamide, mercury-II- complex, C–H···S contact, HSAB theory
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@article{paperid:1073953,
author = {Taherzadeh, Maryam and Pourayoubi, Mehrdad and Marek Nečas},
title = {The first X-ray crystal structure of a mercury(II) complex with an SP(N)3-based ligand: Synthesis and crystal structure of SP(NC5H10)3 and [Hg{SP(NC5H10)3}Cl2]2},
journal = {Phosphorus, Sulfur, and Silicon and the Related Elements},
year = {2019},
volume = {194},
number = {1},
month = {February},
issn = {1042-6507},
pages = {39--46},
numpages = {7},
keywords = {Phosphorothioic triamide; mercury-II- complex; C–H···S contact; HSAB theory},
}

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%0 Journal Article
%T The first X-ray crystal structure of a mercury(II) complex with an SP(N)3-based ligand: Synthesis and crystal structure of SP(NC5H10)3 and [Hg{SP(NC5H10)3}Cl2]2
%A Taherzadeh, Maryam
%A Pourayoubi, Mehrdad
%A Marek Nečas
%J Phosphorus, Sulfur, and Silicon and the Related Elements
%@ 1042-6507
%D 2019

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