Journal article

On the importance of pi-hole spodium bonding in tricoordinated Hg-II complexes

Ghodrat Mahmoudi, Ardavan Masoudiasl, Maria G Babashkina, Antonio Frontera, Thomas Doert, Jonathan M White, Ennio Zangrando, Fedor I Zubkov, Damir A Safin

Dalton Transactions | ROYAL SOC CHEMISTRY | Published : 2020


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 HgI spodium bond are formed at opposite sides of the π-hole. In 2, two different HgI spodium bonds are formed at both sides of the π-hole. This is the first study describing structure-guiding π-hole spodium bonding.

University of Melbourne Researchers


Awarded by Spanish MICIU/AEI

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)