Research output: Contribution to journal › Article › peer-review
Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br). / Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sukhikh, Taisiya S. et al.
In: Polyhedron, Vol. 221, 115876, 15.07.2022.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Halogen-rich halorhenates(IV): (Me4N)2{[ReX6](X2)} (X = Cl, Br)
AU - Korobeynikov, Nikita A.
AU - Usoltsev, Andrey N.
AU - Sukhikh, Taisiya S.
AU - Novikov, Alexander S.
AU - Korolkov, Ilya V.
AU - Fedin, Vladimir P.
AU - Sokolov, Maxim N.
AU - Adonin, Sergey A.
N1 - Funding Information: This work was supported by Russian Science Foundation (Grant No. 18-73-10040 ) and, in part, by the Ministry of Science and Higher Education of the Russian Federation (structural characterization of the samples, 121031700313-8 ). Publisher Copyright: © 2022 Elsevier Ltd
PY - 2022/7/15
Y1 - 2022/7/15
N2 - Dihalogen - halorhenates(IV) (Me4N)2{[ReX6](X2)} (X = Cl (1), Br (2)) were prepared and structurally characterized, featuring the first examples of rhenium/dihalogen supramolecular complexes. 1 and 2 reveal pseudo-3D structure; both compounds demonstrate high thermal stability, releasing Cl2 or Br2 only at elevated temperatures (over 90 and 150 °C, respectively). The energies of halogen···halogen non-covalent interactions were estimated to be as high as 2.5 and 5.1 kcal/mol for 1 and 2, respectively. Hirshfeld surface analysis was performed for both structures, allowing estimation of contributions of different non-covalent interactions to crystal packing.
AB - Dihalogen - halorhenates(IV) (Me4N)2{[ReX6](X2)} (X = Cl (1), Br (2)) were prepared and structurally characterized, featuring the first examples of rhenium/dihalogen supramolecular complexes. 1 and 2 reveal pseudo-3D structure; both compounds demonstrate high thermal stability, releasing Cl2 or Br2 only at elevated temperatures (over 90 and 150 °C, respectively). The energies of halogen···halogen non-covalent interactions were estimated to be as high as 2.5 and 5.1 kcal/mol for 1 and 2, respectively. Hirshfeld surface analysis was performed for both structures, allowing estimation of contributions of different non-covalent interactions to crystal packing.
KW - Bromine
KW - Chlorine
KW - Halogen bonding
KW - Non-covalent interactions
KW - Rhenium
UR - http://www.scopus.com/inward/record.url?scp=85129423345&partnerID=8YFLogxK
U2 - 10.1016/j.poly.2022.115876
DO - 10.1016/j.poly.2022.115876
M3 - Article
AN - SCOPUS:85129423345
VL - 221
JO - Polyhedron
JF - Polyhedron
SN - 0277-5387
M1 - 115876
ER -
ID: 36060682