Revisiting sp2 Dilithio Methandiides: From Geometric Curiosity to Simple Bonding Description

The reported tetracoordinate dilithio methandiide complex from Liddle and co‐workers (1) is investigated from a coordination chemistry perspective, to probe the origin of its intriguing geometry. Through the application of a variety of computational techniques, non‐covalent (steric, electrostatic) i...

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Bibliographic Details
Published in:Chemistry : a European journal 2023-10, Vol.29 (56), p.e202301911-n/a
Main Authors: Leach, Isaac F., Speelman, Tom, Somsen, Chiel, Klein, Johannes E. M. N., Havenith, Remco W. A.
Format: Article
Language:English
Subjects:
bonding analysis
Carbon
Chemistry
coordination
density functional calculations
Electrostatic properties
methandiides
Online Access:Get full text
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Summary:The reported tetracoordinate dilithio methandiide complex from Liddle and co‐workers (1) is investigated from a coordination chemistry perspective, to probe the origin of its intriguing geometry. Through the application of a variety of computational techniques, non‐covalent (steric, electrostatic) interactions are found to be dominant. Further, we arrive at a bonding description which emphasizes the tricoordinate sp2‐hybridized nature of the central methandiide carbon, differing somewhat from the original proposal. Thus, 1 is distinct from other dilithio methandiides since it contains only one C−Li σ‐bond, and is found to be comparable to a simple aryllithium compound, phenyllithium. The intriguing tetracoordinate geometry of a dilithio methandiide complex is probed from a coordination chemistry perspective, demonstrating the sp2‐hybridized nature of the methandiide carbon and the other (non‐covalent) interactions responsible for its planarity.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202301911