Cargando…

Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length

A fundamental and ubiquitous phenomenon in chemistry is the contraction of both C−H and C−C bonds as the carbon atoms involved vary, in s–p hybridization, along sp(3) to sp(2) to sp. Our quantum chemical bonding analyses based on Kohn–Sham molecular orbital theory show that the generally accepted ra...

Descripción completa

Detalles Bibliográficos
Autores principales: Vermeeren, Pascal, van Zeist, Willem‐Jan, Hamlin, Trevor A., Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8248318/
https://www.ncbi.nlm.nih.gov/pubmed/33513281
http://dx.doi.org/10.1002/chem.202004653