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Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole : the structure, quantum chemical calculations, and luminescence properties. / Smirnova, K. S.; Lider, E. V.; Kozlova, S. G. et al.

In: Russian Chemical Bulletin, Vol. 69, No. 10, 01.10.2020, p. 1873-1883.

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

Harvard

Smirnova, KS, Lider, EV, Kozlova, SG, Sukhikh, TS, Kuratieva, NV, Pozdniakov, IP & Potapov, AS 2020, 'Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole: the structure, quantum chemical calculations, and luminescence properties', Russian Chemical Bulletin, vol. 69, no. 10, pp. 1873-1883. https://doi.org/10.1007/s11172-020-2973-6

APA

Smirnova, K. S., Lider, E. V., Kozlova, S. G., Sukhikh, T. S., Kuratieva, N. V., Pozdniakov, I. P., & Potapov, A. S. (2020). Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole: the structure, quantum chemical calculations, and luminescence properties. Russian Chemical Bulletin, 69(10), 1873-1883. https://doi.org/10.1007/s11172-020-2973-6

Vancouver

Smirnova KS, Lider EV, Kozlova SG, Sukhikh TS, Kuratieva NV, Pozdniakov IP et al. Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole: the structure, quantum chemical calculations, and luminescence properties. Russian Chemical Bulletin. 2020 Oct 1;69(10):1873-1883. doi: 10.1007/s11172-020-2973-6

Author

Smirnova, K. S. ; Lider, E. V. ; Kozlova, S. G. et al. / Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole : the structure, quantum chemical calculations, and luminescence properties. In: Russian Chemical Bulletin. 2020 ; Vol. 69, No. 10. pp. 1873-1883.

BibTeX

@article{e9b37c0753a14b7fab55ac33d9d85f8e,
title = "Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole: the structure, quantum chemical calculations, and luminescence properties",
abstract = "An organic ligand 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole (bta) and two zinc complexes of the composition [Zn(bta)2Hal2] (Hal = Cl, Br) were synthesized. The crystal structure of the complex [Zn(bta)2Cl2] was determined and its features were discussed. According to X-ray diffraction data, the central atom has a tetrahedral environment composed of two nitrogen atoms from two ligand molecules coordinated in monodentate mode and two terminal chloride ions. Density functional theory (DFT) calculations of the ligand and complex [Zn(bta)2Cl2] were carried out. A study of the luminescence properties of the compounds synthesized suggests that excitation of the zinc complexes gives rise to a dual-band luminescence similar to that of the free ligand. Most probably, the emission originates from π—π* and π—π* intra-ligand transitions.",
keywords = "benzimidazole, benzotriazole, crystal structure, DFT calculations, photoluminescence, zinc(II) complexes, ZN(II) COMPLEXES, CRYSTAL-STRUCTURE, FLEXIBLE BIS(BENZIMIDAZOLE), PHOTOPHYSICAL PROPERTIES, ANTITUMOR-ACTIVITY, METAL-ORGANIC FRAMEWORKS, ORDER REGULAR APPROXIMATION, BENZIMIDAZOLE, COORDINATION POLYMERS, ELECTRON-DENSITY",
author = "Smirnova, {K. S.} and Lider, {E. V.} and Kozlova, {S. G.} and Sukhikh, {T. S.} and Kuratieva, {N. V.} and Pozdniakov, {I. P.} and Potapov, {A. S.}",
year = "2020",
month = oct,
day = "1",
doi = "10.1007/s11172-020-2973-6",
language = "English",
volume = "69",
pages = "1873--1883",
journal = "Russian Chemical Bulletin",
issn = "1066-5285",
publisher = "Springer Nature",
number = "10",

}

RIS

TY - JOUR

T1 - Zinc complexes with 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole

T2 - the structure, quantum chemical calculations, and luminescence properties

AU - Smirnova, K. S.

AU - Lider, E. V.

AU - Kozlova, S. G.

AU - Sukhikh, T. S.

AU - Kuratieva, N. V.

AU - Pozdniakov, I. P.

AU - Potapov, A. S.

PY - 2020/10/1

Y1 - 2020/10/1

N2 - An organic ligand 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole (bta) and two zinc complexes of the composition [Zn(bta)2Hal2] (Hal = Cl, Br) were synthesized. The crystal structure of the complex [Zn(bta)2Cl2] was determined and its features were discussed. According to X-ray diffraction data, the central atom has a tetrahedral environment composed of two nitrogen atoms from two ligand molecules coordinated in monodentate mode and two terminal chloride ions. Density functional theory (DFT) calculations of the ligand and complex [Zn(bta)2Cl2] were carried out. A study of the luminescence properties of the compounds synthesized suggests that excitation of the zinc complexes gives rise to a dual-band luminescence similar to that of the free ligand. Most probably, the emission originates from π—π* and π—π* intra-ligand transitions.

AB - An organic ligand 1-(1H-benzimidazol-1-ylmethyl)-1H-benzotriazole (bta) and two zinc complexes of the composition [Zn(bta)2Hal2] (Hal = Cl, Br) were synthesized. The crystal structure of the complex [Zn(bta)2Cl2] was determined and its features were discussed. According to X-ray diffraction data, the central atom has a tetrahedral environment composed of two nitrogen atoms from two ligand molecules coordinated in monodentate mode and two terminal chloride ions. Density functional theory (DFT) calculations of the ligand and complex [Zn(bta)2Cl2] were carried out. A study of the luminescence properties of the compounds synthesized suggests that excitation of the zinc complexes gives rise to a dual-band luminescence similar to that of the free ligand. Most probably, the emission originates from π—π* and π—π* intra-ligand transitions.

KW - benzimidazole

KW - benzotriazole

KW - crystal structure

KW - DFT calculations

KW - photoluminescence

KW - zinc(II) complexes

KW - ZN(II) COMPLEXES

KW - CRYSTAL-STRUCTURE

KW - FLEXIBLE BIS(BENZIMIDAZOLE)

KW - PHOTOPHYSICAL PROPERTIES

KW - ANTITUMOR-ACTIVITY

KW - METAL-ORGANIC FRAMEWORKS

KW - ORDER REGULAR APPROXIMATION

KW - BENZIMIDAZOLE

KW - COORDINATION POLYMERS

KW - ELECTRON-DENSITY

UR - http://www.scopus.com/inward/record.url?scp=85094979144&partnerID=8YFLogxK

U2 - 10.1007/s11172-020-2973-6

DO - 10.1007/s11172-020-2973-6

M3 - Article

AN - SCOPUS:85094979144

VL - 69

SP - 1873

EP - 1883

JO - Russian Chemical Bulletin

JF - Russian Chemical Bulletin

SN - 1066-5285

IS - 10

ER -

ID: 25851882