Issue 13, 2023

Metal-involved C⋯dz2-PtII tetrel bonding as a principal component of the stacking interaction between arenes and the platinum(ii) square-plane

Abstract

The half-lantern PtII2 complexes [Pt(CN)(μ-SN)]2 (CN = 2-naphtylbenzothiazolate 1; 2-phenylbenzothiazolate 2; SN = 2-thiopyridine) were crystallized with electron-deficient arenes such as hexafluorobenzene (C6F6) and octafluoroanthraquinone (OFA) to furnish cocrystals 1·C6F6, 2·C6F6, and 1·(OFA)2, all studied by X-ray crystallography. The obtained structural data revealed that structure-determining π–π stacking occurred between the arenes and metal square-planes. Density functional theory calculations, employing a set of computational tools, verified the contribution of the C⋯dz2-PtII noncovalent bond in the overall stacking forces. Orbital interaction analysis using the charge displacement function (CDF) combined with the extended transition state natural orbital for chemical valence theory (ETS-NOCV) method demonstrated the significance of the dz2(Pt) → π*(C) charge-transfer interaction, which allows the attribution of the C⋯Pt contact to a metal-involved tetrel bonding. Many-body interaction analysis demonstrates a positive cooperative effect between the fragments of the half-lantern complex and the perfluoroarenes favoring the occurrence of supramolecular chains.

Graphical abstract: Metal-involved C⋯dz2-PtII tetrel bonding as a principal component of the stacking interaction between arenes and the platinum(ii) square-plane

Supplementary files

Article information

Article type
Research Article
Submitted
25 Mar 2023
Accepted
24 May 2023
First published
26 May 2023

Inorg. Chem. Front., 2023,10, 3916-3928

Metal-involved C⋯dz2-PtII tetrel bonding as a principal component of the stacking interaction between arenes and the platinum(II) square-plane

E. A. Katlenok, M. L. Kuznetsov, A. V. Cherkasov, D. M. Kryukov, N. A. Bokach and V. Yu. Kukushkin, Inorg. Chem. Front., 2023, 10, 3916 DOI: 10.1039/D3QI00555K

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