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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 и др.
в: Crystals, Том 9, № 4, 222, 01.04.2019.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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