Standard

Solid-state fluorescent 1,2,4-triazole zinc(II) complexes : Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts. / Yunusova, Sevilya N.; Novikov, Alexander S.; Khoroshilova, Olesya V.; Kolesnikov, Ilya E.; Demakova, Marina Ya; Bolotin, Dmitrii S.

в: Inorganica Chimica Acta, Том 510, 119660, 24.09.2020.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Yunusova, SN, Novikov, AS, Khoroshilova, OV, Kolesnikov, IE, Demakova, MY & Bolotin, DS 2020, 'Solid-state fluorescent 1,2,4-triazole zinc(II) complexes: Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts', Inorganica Chimica Acta, Том. 510, 119660. https://doi.org/10.1016/j.ica.2020.119660

APA

Yunusova, S. N., Novikov, A. S., Khoroshilova, O. V., Kolesnikov, I. E., Demakova, M. Y., & Bolotin, D. S. (2020). Solid-state fluorescent 1,2,4-triazole zinc(II) complexes: Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts. Inorganica Chimica Acta, 510, [119660]. https://doi.org/10.1016/j.ica.2020.119660

Vancouver

Yunusova SN, Novikov AS, Khoroshilova OV, Kolesnikov IE, Demakova MY, Bolotin DS. Solid-state fluorescent 1,2,4-triazole zinc(II) complexes: Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts. Inorganica Chimica Acta. 2020 Сент. 24;510. 119660. https://doi.org/10.1016/j.ica.2020.119660

Author

Yunusova, Sevilya N. ; Novikov, Alexander S. ; Khoroshilova, Olesya V. ; Kolesnikov, Ilya E. ; Demakova, Marina Ya ; Bolotin, Dmitrii S. / Solid-state fluorescent 1,2,4-triazole zinc(II) complexes : Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts. в: Inorganica Chimica Acta. 2020 ; Том 510.

BibTeX

@article{3e5b4ba4e45e45b6a32fb31ccb61f748,
title = "Solid-state fluorescent 1,2,4-triazole zinc(II) complexes: Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts",
abstract = "Five bis-triazole zinc(II) chloride complexes exhibiting solid-state fluorescence were prepared in 58–99% isolated yields and fully characterized by HRESI-MS, IR, 1H- and CP-MAS TOSS 13C{1H} NMR. Results of single-crystal XRD indicate that their crystal structures include the rare bifurcated N[sbnd]H⋯Cl noncovalent contacts. The estimated energy of these interactions is 1.3–1.9 kcal/mol (5.2–7.6 kcal/mol per each associate) as verified by DFT calculations at the ωB97XD/6-31G(d) level of theory and by QTAIM method. The complexes exhibit emission maxima in the range 372–422 nm and nanosecond lifetimes of the fluorescence. In the case of the 3-pheny-1-dimethylamino-1,2,4-triazole complex, a significant enhancement of quantum yield (ca. 20-fold) and blue shift of the emission maximum (33 nm) were observed relatively to the uncomplexed 1,2,4-triazole.",
keywords = "DFT calculations, Fluorescence, Hydrogen bonds, Triazole, Zinc(II) complex, DESIGN, HYDROGEN-BOND, MOF, CRYSTAL-STRUCTURES, ION, FRAMEWORKS, FAMILY, CLUSTERS, ENERGIES, PROGRAM",
author = "Yunusova, {Sevilya N.} and Novikov, {Alexander S.} and Khoroshilova, {Olesya V.} and Kolesnikov, {Ilya E.} and Demakova, {Marina Ya} and Bolotin, {Dmitrii S.}",
year = "2020",
month = sep,
day = "24",
doi = "10.1016/j.ica.2020.119660",
language = "English",
volume = "510",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Solid-state fluorescent 1,2,4-triazole zinc(II) complexes

T2 - Self-organization via bifurcated (N[sbnd]H)2⋯Cl contacts

AU - Yunusova, Sevilya N.

AU - Novikov, Alexander S.

AU - Khoroshilova, Olesya V.

AU - Kolesnikov, Ilya E.

AU - Demakova, Marina Ya

AU - Bolotin, Dmitrii S.

PY - 2020/9/24

Y1 - 2020/9/24

N2 - Five bis-triazole zinc(II) chloride complexes exhibiting solid-state fluorescence were prepared in 58–99% isolated yields and fully characterized by HRESI-MS, IR, 1H- and CP-MAS TOSS 13C{1H} NMR. Results of single-crystal XRD indicate that their crystal structures include the rare bifurcated N[sbnd]H⋯Cl noncovalent contacts. The estimated energy of these interactions is 1.3–1.9 kcal/mol (5.2–7.6 kcal/mol per each associate) as verified by DFT calculations at the ωB97XD/6-31G(d) level of theory and by QTAIM method. The complexes exhibit emission maxima in the range 372–422 nm and nanosecond lifetimes of the fluorescence. In the case of the 3-pheny-1-dimethylamino-1,2,4-triazole complex, a significant enhancement of quantum yield (ca. 20-fold) and blue shift of the emission maximum (33 nm) were observed relatively to the uncomplexed 1,2,4-triazole.

AB - Five bis-triazole zinc(II) chloride complexes exhibiting solid-state fluorescence were prepared in 58–99% isolated yields and fully characterized by HRESI-MS, IR, 1H- and CP-MAS TOSS 13C{1H} NMR. Results of single-crystal XRD indicate that their crystal structures include the rare bifurcated N[sbnd]H⋯Cl noncovalent contacts. The estimated energy of these interactions is 1.3–1.9 kcal/mol (5.2–7.6 kcal/mol per each associate) as verified by DFT calculations at the ωB97XD/6-31G(d) level of theory and by QTAIM method. The complexes exhibit emission maxima in the range 372–422 nm and nanosecond lifetimes of the fluorescence. In the case of the 3-pheny-1-dimethylamino-1,2,4-triazole complex, a significant enhancement of quantum yield (ca. 20-fold) and blue shift of the emission maximum (33 nm) were observed relatively to the uncomplexed 1,2,4-triazole.

KW - DFT calculations

KW - Fluorescence

KW - Hydrogen bonds

KW - Triazole

KW - Zinc(II) complex

KW - DESIGN

KW - HYDROGEN-BOND

KW - MOF

KW - CRYSTAL-STRUCTURES

KW - ION

KW - FRAMEWORKS

KW - FAMILY

KW - CLUSTERS

KW - ENERGIES

KW - PROGRAM

UR - http://www.scopus.com/inward/record.url?scp=85083878517&partnerID=8YFLogxK

U2 - 10.1016/j.ica.2020.119660

DO - 10.1016/j.ica.2020.119660

M3 - Article

AN - SCOPUS:85083878517

VL - 510

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

M1 - 119660

ER -

ID: 53562095