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Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State. / Adonin, S. A.; Novikov, A. S.; Smirnova, Yu K. et al.

In: Journal of Structural Chemistry, Vol. 61, No. 5, 5, 01.05.2020, p. 712-718.

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

Harvard

Adonin, SA, Novikov, AS, Smirnova, YK, Tushakova, ZR & Fedin, VP 2020, 'Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State', Journal of Structural Chemistry, vol. 61, no. 5, 5, pp. 712-718. https://doi.org/10.1134/S0022476620050066

APA

Adonin, S. A., Novikov, A. S., Smirnova, Y. K., Tushakova, Z. R., & Fedin, V. P. (2020). Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State. Journal of Structural Chemistry, 61(5), 712-718. [5]. https://doi.org/10.1134/S0022476620050066

Vancouver

Adonin SA, Novikov AS, Smirnova YK, Tushakova ZR, Fedin VP. Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State. Journal of Structural Chemistry. 2020 May 1;61(5):712-718. 5. doi: 10.1134/S0022476620050066

Author

Adonin, S. A. ; Novikov, A. S. ; Smirnova, Yu K. et al. / Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State. In: Journal of Structural Chemistry. 2020 ; Vol. 61, No. 5. pp. 712-718.

BibTeX

@article{e6e1238df061479d828e7c399b0b6af5,
title = "Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State",
abstract = "By the reaction of a CuCl22H2O solution in ethanol with a 2-bromopyridine (2-BrPy) solution in ethanol heteroligand complex [Cu(2-BrPy)2(H2O)Cl2] (1) is obtained and its structure is determined by single crystal XRD. The energies of non-covalent halogen⋯halogen interactions in the crystal structures of 1 and previously obtained [Cu(2-ClPy)2(H2O)Cl2] (2) are estimated by quantum chemical calculations within the density functional theory at the M06/DZP-DKH level and the QTAIM topological analysis of the electron density distribution.",
keywords = "copper, halide complexes, halogen bond, non-covalent interactions, quantum chemical calculations, INTERPLAY, VAN, BOND DONOR, CL, NONCOVALENT INTERACTIONS, BR, METALS, RADII, M-X, MAGNETIC-PROPERTIES",
author = "Adonin, {S. A.} and Novikov, {A. S.} and Smirnova, {Yu K.} and Tushakova, {Z. R.} and Fedin, {V. P.}",
note = "The work was supported by RFBR (poject No. 20-33-70010 {"}Stability{"}).",
year = "2020",
month = may,
day = "1",
doi = "10.1134/S0022476620050066",
language = "English",
volume = "61",
pages = "712--718",
journal = "Journal of Structural Chemistry",
issn = "0022-4766",
publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",
number = "5",

}

RIS

TY - JOUR

T1 - Heteroligand Cu(II) Complexes with 2-Halogenopyridines: Crystal Structure and Features of Halogen⋯Halogen Contacts in the Solid State

AU - Adonin, S. A.

AU - Novikov, A. S.

AU - Smirnova, Yu K.

AU - Tushakova, Z. R.

AU - Fedin, V. P.

N1 - The work was supported by RFBR (poject No. 20-33-70010 "Stability").

PY - 2020/5/1

Y1 - 2020/5/1

N2 - By the reaction of a CuCl22H2O solution in ethanol with a 2-bromopyridine (2-BrPy) solution in ethanol heteroligand complex [Cu(2-BrPy)2(H2O)Cl2] (1) is obtained and its structure is determined by single crystal XRD. The energies of non-covalent halogen⋯halogen interactions in the crystal structures of 1 and previously obtained [Cu(2-ClPy)2(H2O)Cl2] (2) are estimated by quantum chemical calculations within the density functional theory at the M06/DZP-DKH level and the QTAIM topological analysis of the electron density distribution.

AB - By the reaction of a CuCl22H2O solution in ethanol with a 2-bromopyridine (2-BrPy) solution in ethanol heteroligand complex [Cu(2-BrPy)2(H2O)Cl2] (1) is obtained and its structure is determined by single crystal XRD. The energies of non-covalent halogen⋯halogen interactions in the crystal structures of 1 and previously obtained [Cu(2-ClPy)2(H2O)Cl2] (2) are estimated by quantum chemical calculations within the density functional theory at the M06/DZP-DKH level and the QTAIM topological analysis of the electron density distribution.

KW - copper

KW - halide complexes

KW - halogen bond

KW - non-covalent interactions

KW - quantum chemical calculations

KW - INTERPLAY

KW - VAN

KW - BOND DONOR

KW - CL

KW - NONCOVALENT INTERACTIONS

KW - BR

KW - METALS

KW - RADII

KW - M-X

KW - MAGNETIC-PROPERTIES

UR - http://www.scopus.com/inward/record.url?scp=85089063673&partnerID=8YFLogxK

UR - https://elibrary.ru/item.asp?id=45388340

U2 - 10.1134/S0022476620050066

DO - 10.1134/S0022476620050066

M3 - Article

AN - SCOPUS:85089063673

VL - 61

SP - 712

EP - 718

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 5

M1 - 5

ER -

ID: 24894918