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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...

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Dettagli Bibliografici
Pubblicato in:Chemistry
Autori principali: Vermeeren, Pascal, van Zeist, Willem‐Jan, Hamlin, Trevor A., Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Natura: Artigo
Lingua:Inglês
Pubblicazione: John Wiley and Sons Inc. 2021
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC8248318/
https://ncbi.nlm.nih.gov/pubmed/33513281
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.202004653
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