TY - JOUR
T1 - Revisiting sp2 Dilithio Methandiides
T2 - From Geometric Curiosity to Simple Bonding Description
AU - Leach, Isaac F.
AU - Speelman, Tom
AU - Somsen, Chiel
AU - Klein, Johannes E.M.N.
AU - Havenith, Remco W.A.
N1 - Funding Information:
We thank the Center for Information Technology of the University of Groningen for their support and for providing access to the Peregrine and Hábrók high performance computing clusters. This work also made use of the Dutch national e‐infrastructure with the support of the SURF cooperative using grants no. EINF‐2276, EINF‐3508 and NWO‐2022.004/L1. R. W. A. H. acknowledges S. Dolas (SURF, NL) for allowing us to perform calculations on the experimental AMD platform kleurplaat maintained and operated by SURF Open Innovation Lab. I. F. L. thanks the Dutch Ministry of Education, Culture, and Science (OCW) for funding his PhD scholarship.
Publisher Copyright:
© 2023 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH.
PY - 2023/10/9
Y1 - 2023/10/9
N2 - 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.
AB - 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.
KW - Carbon
KW - coordination
KW - bonding analysis
KW - density functional calculations
KW - methandiides
UR - http://www.scopus.com/inward/record.url?scp=85169672439&partnerID=8YFLogxK
U2 - 10.1002/chem.202301911
DO - 10.1002/chem.202301911
M3 - Article
AN - SCOPUS:85169672439
SN - 0947-6539
VL - 29
JO - Chemistry - A European Journal
JF - Chemistry - A European Journal
IS - 56
M1 - e202301911
ER -