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

Elizaveta Lider, Taisiya Sukhikh, Anton Smolentsev, Evgeny Semitut, Evgeny Filatov, Andrei Potapov

Результат исследований: Материалы для журналаСтатья

Выдержка

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 22 -Pz 4 )(DMSO) 2 Cl 4 ]·4H 2 O and [Cu 22 -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 22 -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.

Язык оригиналаАнглийский
Номер статьи222
ЖурналCrystals
Том9
Номер выпуска4
DOI
СостояниеОпубликовано - 1 апр 2019

Отпечаток

Ethane
Dimethyl Sulfoxide
ethane
Thermoanalysis
Density functional theory
thermal analysis
Crystal structure
chlorides
Ligands
density functional theory
Copper
copper
ligands
crystal structure
synthesis
Vibrational spectra
Chemical analysis
coordination polymers
Silver
diffraction

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

Цитировать

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; Semitut, Evgeny; Filatov, Evgeny; Potapov, Andrei.

В: Crystals, Том 9, № 4, 222, 01.04.2019.

Результат исследований: Материалы для журналаСтатья

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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",
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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

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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.

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KW - Copper(II) chloride

KW - Crystal structure

KW - Thermogravimetric analysis

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