Zinc(II) and cobalt(II) complexes with unusual coordination of mixed imidazole-1,2,4-triazole ligand in a protonated cationic form

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Zinc(II) and cobalt(II) complexes with unusual coordination of mixed imidazole-1,2,4-triazole ligand in a protonated cationic form. / Yu, Xiaolin; Gao, Enjun; Yao, Wei et al.

In: Polyhedron, Vol. 217, 115741, 01.05.2022.

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

BibTeX

@article{1a3cda5b1b1c4f81be1595eb359adf76,

title = "Zinc(II) and cobalt(II) complexes with unusual coordination of mixed imidazole-1,2,4-triazole ligand in a protonated cationic form",

abstract = "Zinc(II) and cobalt(II) molecular coordination compounds with the mixed-donor 1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole were prepared and their crystal structure was determined by single crystal X-ray diffraction analysis. Both metal cations are in a slightly distorted tetrahedral arrangement, the heterocyclic ligand is coordinated via 1,2,4-triazole nitrogen atoms at position 4 of the ring, consistent with the localization of a negative charge at this atom, according to DFT calculations. Upon coordination, the ligand undergoes protonation with the formation of rare examples of transition metal coordination compounds with the cationic ligands. Zinc(II) complex demonstrated ligand-centered photoluminescence with the maximum near 302 nm upon excitation at 264 nm.",

keywords = "1, 2, 4-triazole, Cationic ligand, Crystal structure, Imidazole, Luminescence",

author = "Xiaolin Yu and Enjun Gao and Wei Yao and Fedin, {Vladimir P.} and Potapov, {Andrei S.}",

note = "Funding Information: This work was supported by the Ministry of Science and Higher Education of the Russian Federation, project number 121031700321-3. The author Xiaolin Yu gratefully appreciates the financial support of China Scholarship Council (CSC). The Siberian Branch of the Russian Academy of Sciences (SB RAS) Siberian Supercomputer Centre is gratefully acknowledged for providing supercomputer facilities. Publisher Copyright: {\textcopyright} 2022 Elsevier Ltd",

year = "2022",

month = may,

day = "1",

doi = "10.1016/j.poly.2022.115741",

language = "English",

volume = "217",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Zinc(II) and cobalt(II) complexes with unusual coordination of mixed imidazole-1,2,4-triazole ligand in a protonated cationic form

AU - Yu, Xiaolin

AU - Gao, Enjun

AU - Yao, Wei

AU - Fedin, Vladimir P.

AU - Potapov, Andrei S.

N1 - Funding Information: This work was supported by the Ministry of Science and Higher Education of the Russian Federation, project number 121031700321-3. The author Xiaolin Yu gratefully appreciates the financial support of China Scholarship Council (CSC). The Siberian Branch of the Russian Academy of Sciences (SB RAS) Siberian Supercomputer Centre is gratefully acknowledged for providing supercomputer facilities. Publisher Copyright: © 2022 Elsevier Ltd

PY - 2022/5/1

Y1 - 2022/5/1

N2 - Zinc(II) and cobalt(II) molecular coordination compounds with the mixed-donor 1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole were prepared and their crystal structure was determined by single crystal X-ray diffraction analysis. Both metal cations are in a slightly distorted tetrahedral arrangement, the heterocyclic ligand is coordinated via 1,2,4-triazole nitrogen atoms at position 4 of the ring, consistent with the localization of a negative charge at this atom, according to DFT calculations. Upon coordination, the ligand undergoes protonation with the formation of rare examples of transition metal coordination compounds with the cationic ligands. Zinc(II) complex demonstrated ligand-centered photoluminescence with the maximum near 302 nm upon excitation at 264 nm.

AB - Zinc(II) and cobalt(II) molecular coordination compounds with the mixed-donor 1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole were prepared and their crystal structure was determined by single crystal X-ray diffraction analysis. Both metal cations are in a slightly distorted tetrahedral arrangement, the heterocyclic ligand is coordinated via 1,2,4-triazole nitrogen atoms at position 4 of the ring, consistent with the localization of a negative charge at this atom, according to DFT calculations. Upon coordination, the ligand undergoes protonation with the formation of rare examples of transition metal coordination compounds with the cationic ligands. Zinc(II) complex demonstrated ligand-centered photoluminescence with the maximum near 302 nm upon excitation at 264 nm.

KW - 1, 2, 4-triazole

KW - Cationic ligand

KW - Crystal structure

KW - Imidazole

KW - Luminescence

UR - http://www.scopus.com/inward/record.url?scp=85125472730&partnerID=8YFLogxK

U2 - 10.1016/j.poly.2022.115741

DO - 10.1016/j.poly.2022.115741

M3 - Article

AN - SCOPUS:85125472730

VL - 217

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

M1 - 115741

ER -

ID: 35598663