Research output: Contribution to journal › Article › peer-review
Neutral heteroleptic complexes of bis(2-halopyridine)dihalocopper(II) family : How the nature of halogen atom affects supramolecular motifs and energies of halogen bonding in solid state? / Usoltsev, Andrey N.; Novikov, Alexander S.; Sokolov, Maxim N.; Adonin, Sergey A.
In: Solid State Sciences, Vol. 109, 106441, 11.2020.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Neutral heteroleptic complexes of bis(2-halopyridine)dihalocopper(II) family
T2 - How the nature of halogen atom affects supramolecular motifs and energies of halogen bonding in solid state?
AU - Usoltsev, Andrey N.
AU - Novikov, Alexander S.
AU - Sokolov, Maxim N.
AU - Adonin, Sergey A.
N1 - Funding Information: This work was supported by Russian Foundation for Basic Research (Grant No. 20-33-70010 ). The authors thank NIIC Resource center for access to XRD equipment. Publisher Copyright: © 2020 Elsevier Masson SAS Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/11
Y1 - 2020/11
N2 - Heteroleptic complexes [Cu(2-IPy)2 × 2] (2-IPy = 2-iodopyridine, X = Cl (1), Br (2)) were synthesized and characterized by X-ray diffractometry and thermogravimetric analysis (TGA). Analysis of their structures reveals differences of halogen bonding (XB) patterns with those in previously reported [Cu(2-XPy)2Y2] (X and Y = Cl or Br, respectively). DFT calculations were performed for the whole series, enabling estimation of XB energies.
AB - Heteroleptic complexes [Cu(2-IPy)2 × 2] (2-IPy = 2-iodopyridine, X = Cl (1), Br (2)) were synthesized and characterized by X-ray diffractometry and thermogravimetric analysis (TGA). Analysis of their structures reveals differences of halogen bonding (XB) patterns with those in previously reported [Cu(2-XPy)2Y2] (X and Y = Cl or Br, respectively). DFT calculations were performed for the whole series, enabling estimation of XB energies.
KW - Copper
KW - DFT calculations
KW - Halogen bonding
KW - N-donor ligands
KW - Supramolecular contacts
KW - DONOR
KW - COPPER(II)
KW - CL
KW - DENSITY
KW - BR
KW - WEAK
KW - PHOSPHORESCENCE
KW - CRYSTALS
KW - M-X
KW - MAGNETIC-PROPERTIES
UR - http://www.scopus.com/inward/record.url?scp=85092541850&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/6aa4032c-1b21-3b17-a202-bbf6d57a92c2/
U2 - 10.1016/j.solidstatesciences.2020.106441
DO - 10.1016/j.solidstatesciences.2020.106441
M3 - Article
AN - SCOPUS:85092541850
VL - 109
JO - Solid State Sciences
JF - Solid State Sciences
SN - 1293-2558
M1 - 106441
ER -
ID: 70760852