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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. / Lider, Elizaveta; Sukhikh, Taisiya; Smolentsev, Anton et al.

In: Crystals, Vol. 9, No. 4, 222, 01.04.2019.

Research output: Contribution to journal › Article › peer-review

Harvard

Lider, E, Sukhikh, T, Smolentsev, A, Semitut, E, Filatov, E & Potapov, A 2019, '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', Crystals, vol. 9, no. 4, 222. https://doi.org/10.3390/cryst9040222

APA

Lider, E., Sukhikh, T., Smolentsev, A., Semitut, E., Filatov, E., & Potapov, A. (2019). 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. Crystals, 9(4), [222]. https://doi.org/10.3390/cryst9040222

Vancouver

Lider E, Sukhikh T, Smolentsev A, Semitut E, Filatov E, Potapov A. 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. Crystals. 2019 Apr 1;9(4):222. doi: 10.3390/cryst9040222

Author

Lider, Elizaveta ; Sukhikh, Taisiya ; Smolentsev, Anton et al. / 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. In: Crystals. 2019 ; Vol. 9, No. 4.

BibTeX

@article{bc6fd3f3a94241cbb6d4ca34c20b2f98,
title = "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",
abstract = " Two binuclear coordination compounds of Cu(II) chloride with the bitopic ligand 1,1,2,2-tetrakis(pyrazol-1-yl)ethane (Pz 4 ) of the composition [Cu 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O and [Cu 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]∙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 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O with lattice water molecules is formed by OH···Cl and OH···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. ",
keywords = "1,1,2,2-tetrakis(pyrazol-1-yl)ethane, Binuclear complexes, Bitopic ligand, Copper(II) chloride, Crystal structure, Thermogravimetric analysis, DESIGN, ANION, SILVER(I) COMPLEXES, DRUG-DELIVERY, thermogravimetric analysis, BIS(PYRAZOLYL)METHANE LIGANDS, IMPACT, 1,1,2,2-tetrakis(pyrazol-1-yl) ethane, METAL-ORGANIC FRAMEWORKS, DISCRETE, binuclear complexes, copper(II) chloride, crystal structure, bitopic ligand, ARCHITECTURES",
author = "Elizaveta Lider and Taisiya Sukhikh and Anton Smolentsev and Evgeny Semitut and Evgeny Filatov and Andrei Potapov",
year = "2019",
month = apr,
day = "1",
doi = "10.3390/cryst9040222",
language = "English",
volume = "9",
journal = "Crystals",
issn = "2073-4352",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "4",

}

RIS

TY - JOUR

T1 - 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

AU - Lider, Elizaveta

AU - Sukhikh, Taisiya

AU - Smolentsev, Anton

AU - Semitut, Evgeny

AU - Filatov, Evgeny

AU - Potapov, Andrei

PY - 2019/4/1

Y1 - 2019/4/1

N2 - Two binuclear coordination compounds of Cu(II) chloride with the bitopic ligand 1,1,2,2-tetrakis(pyrazol-1-yl)ethane (Pz 4 ) of the composition [Cu 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O and [Cu 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]∙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 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O with lattice water molecules is formed by OH···Cl and OH···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.

AB - Two binuclear coordination compounds of Cu(II) chloride with the bitopic ligand 1,1,2,2-tetrakis(pyrazol-1-yl)ethane (Pz 4 ) of the composition [Cu 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O and [Cu 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]∙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 2 (µ 2 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O with lattice water molecules is formed by OH···Cl and OH···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.

KW - 1,1,2,2-tetrakis(pyrazol-1-yl)ethane

KW - Binuclear complexes

KW - Bitopic ligand

KW - Copper(II) chloride

KW - Crystal structure

KW - Thermogravimetric analysis

KW - DESIGN

KW - ANION

KW - SILVER(I) COMPLEXES

KW - DRUG-DELIVERY

KW - thermogravimetric analysis

KW - BIS(PYRAZOLYL)METHANE LIGANDS

KW - IMPACT

KW - 1,1,2,2-tetrakis(pyrazol-1-yl) ethane

KW - METAL-ORGANIC FRAMEWORKS

KW - DISCRETE

KW - binuclear complexes

KW - copper(II) chloride

KW - crystal structure

KW - bitopic ligand

KW - ARCHITECTURES

UR - http://www.scopus.com/inward/record.url?scp=85065906463&partnerID=8YFLogxK

U2 - 10.3390/cryst9040222

DO - 10.3390/cryst9040222

M3 - Article

AN - SCOPUS:85065906463

VL - 9

JO - Crystals

JF - Crystals

SN - 2073-4352

IS - 4

M1 - 222

ER -

ID: 20157757