Resonant Dative Bonds.

ABSTRACT: The dative bond is an often underappreciated entity in the theory of chemical interactions, despite its explanatory and predictive potential. In this work, the concept is recovered to computationally design a novel resonant dative bonding pattern in ring molecules, which would be formally considered to be composed of multiple hypervalent and hypovalent atoms. Starting with the (HCPO)₃ ring arranged as alternating carbons and phosphorus, we propose that the major Lewis structure is composed of P═O double bonds and "semi-dative-semi-covalent" P─C bonds. The three carbons technically are a rare case of σ⁰π² carbenes; however, due to the stability granted by the delocalized, resonant dative bonds, we termed them "pseudo-carbenes". By experimenting with isoelect

SUBMITTER: Kozuch S 

PROVIDER: S-EPMC12723455 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature