Synthesis, Crystal Structure, Thermal Analysis, and DFT Calculations of Molecular Copper(II) Chloride Complexes with Bitopic Ligand 1,1,2,2-tetrakis(pyrazol-1-yl)ethane

Two binuclear coordination compounds of Cu(II) chloride with the bitopic ligand 1,1,2,2-tetrakis(pyrazol-1-yl)ethane (Pz<sup>4</sup>) of the composition [Cu<sub>2</sub>(&#181;<sub>2</sub>-Pz<sup>4</sup>)(DMSO)<sub>2</sub>Cl<sub>4&...

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Bibliographic Details
Main Authors: Elizaveta Lider, Taisiya Sukhikh, Anton Smolentsev, Evgeny Semitut, Evgeny Filatov, Andrei Potapov
Format: Article
Language:English
Published: MDPI AG 2019-04-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/9/4/222
Description
Summary:Two binuclear coordination compounds of Cu(II) chloride with the bitopic ligand 1,1,2,2-tetrakis(pyrazol-1-yl)ethane (Pz<sup>4</sup>) of the composition [Cu<sub>2</sub>(&#181;<sub>2</sub>-Pz<sup>4</sup>)(DMSO)<sub>2</sub>Cl<sub>4</sub>]&#183;4H<sub>2</sub>O and [Cu<sub>2</sub>(&#181;<sub>2</sub>-Pz<sup>4</sup>)(DMSO)<sub>2</sub>Cl<sub>4</sub>]∙2DMSO were prepared and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, single-crystal X-ray diffraction, and powder diffraction analysis. It was shown that in contrast to silver(I) and copper(II) nitrates, copper(II) chloride forms discrete complexes instead of coordination polymers. The supramolecular structure of the complex [Cu<sub>2</sub>(&#181;<sub>2</sub>-Pz<sup>4</sup>)(DMSO)<sub>2</sub>Cl<sub>4</sub>]&#183;4H<sub>2</sub>O with lattice water molecules is formed by OH&#183;&#183;&#183;Cl and OH&#183;&#183;&#183;O hydrogen bonds. Density functional theory (DFT) calculations of vibrational frequencies of the ligand and its copper(II) complex allowed for assigning IR bands to specific vibrations.
ISSN:2073-4352