Journal article
On the importance of π-hole spodium bonding in tricoordinated HgIIcomplexes
G Mahmoudi, A Masoudiasl, MG Babashkina, A Frontera, T Doert, JM White, E Zangrando, FI Zubkov, DA Safin
Dalton Transactions | ROYAL SOC CHEMISTRY | Published : 2020
DOI: 10.1039/d0dt03938a
Abstract
A new coordination polymer [Hg(LI)I]n (1) and a new discrete coordination complex [Hg(HLII)I2] (2) are synthesized and X-ray characterized. The existence of positive π-holes at the spodium atoms in both compounds is evidenced by DFT calculations. In 1, a Hg-S semicoordination bond and a Hg⋯I spodium bond are formed at opposite sides of the π-hole. In 2, two different Hg⋯I spodium bonds are formed at both sides of the π-hole. This is the first study describing structure-guiding π-hole spodium bonding. This journal is
Grants
Awarded by Agencia Estatal de Investigación
Funding Acknowledgements
This work was partially supported by the RUDN University Strategic Academic Leadership Program. We also thank the Spanish MICIU/AEI (project CTQ2017-85821-R FEDER funds, UE) for financial support. This paper has been supported by the RUDN University Strategic Academic Leadership Program (Fedor I. Zubkov, synthesis of the ligands)