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Unprecedented {dz2-CuIIO4}⋯π-hole interactions: the case of a cocrystal of a Cu(II) bis-β-diketonate complex with 1,4-diiodotetrafluoro-benzene.
- Source :
-
Chemical Communications . 9/4/2022, Vol. 58 Issue 68, p9524-9527. 4p. - Publication Year :
- 2022
-
Abstract
- Cocrystallization of a bis[1-(4-pyridyl)butane-1,3-dionato]copper(II) (1) complex and 1,4-diiodoperfluorobenzene in the presence of pyridine yields a 1 : 1 cocrystal where both the σ and π-holes of 1,4-diiodoperfluorobenzene play a role. The crystal structure shows short arene CuO4⋯π-hole stacking contacts, where the {dz2-CuIIO4} moiety functions as an integrated five-center π-hole acceptor. DFT calculations combined with quantum theory of atoms-in-molecules and noncovalent interaction plot analyses corroborated the structure-defining role of the {dz2-CuIIO4}⋯π-hole contacts. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 13597345
- Volume :
- 58
- Issue :
- 68
- Database :
- Academic Search Index
- Journal :
- Chemical Communications
- Publication Type :
- Academic Journal
- Accession number :
- 158667981
- Full Text :
- https://doi.org/10.1039/d2cc03457c