2024 : 11 : 13
Ghodrat Mahmoudi

Ghodrat Mahmoudi

Academic rank: Associate Professor
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Education: PhD.
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Research

Title
Experimental and Theoretical Evidence of a Pb⋅⋅⋅Pb Ditetrel Bond Without a σ-Hole
Type
JournalPaper
Keywords
tetrel bond · energy decomposition · noncovalent bonds · σ-hole · crystal structure
Year
2022
Journal CHEMPHYSCHEM
DOI
Researchers Wiktor Zierkiewicz ، Mariusz Michalczyk ، Ghodrat Mahmoudi ، Isabel García-Santos ، Alfonso Castiñeiras ، Ennio Zangrando, ، Steve Scheiner

Abstract

The crystal structure of a newly synthesized compound, [PbL(Ac)]2, (where L=2 (amino(pyrazin-2-yl) methylene) hydrazinecarbothioamide, Ac=acetate anion) exhibits a close contact between pairs of Pb atoms, suggesting a ditetrel bond, in addition to two Pb⋅⋅⋅O tetrel bonds, and two C−H⋅⋅⋅O H-bonds. The presence of this ditetrel bond as an attractive component is confirmed by various quantum chemical methods. This novelty of this particular bond is its existence even in the absence of a σ-hole on the Pb atom, which is typically considered a prerequisite for a bond of this type. From a wider perspective, a survey of the Cambridge Structural Database suggests this bond may be more common than was hitherto thought, with 44 examples of Pb⋅⋅⋅Pb contacts amongst a total number of 219 examples of T⋅⋅⋅T interactions in general (T=Si, Ge, Sn, Pb).