6533b830fe1ef96bd12972ad

RESEARCH PRODUCT

Do Extremely Bent Allenes Exist?

Mikko M. HänninenAnssi PeuronenHeikki M. Tuononen

subject

bent allenesChemistryComputational chemistryOrganic ChemistryBent molecular geometryGeneral ChemistryElectronic structurePhysics::Chemical Physicstaipuneet alleenitelectronic structureCatalysiselektronirakenne

description

Bent allenes: Theoretical calculations show that extremely bent allenes, cyclic or acyclic, adopt a ground state that only bears a formal relationship to classical allenes. Consequently, five-membered ring allenes favor a carbene-like electronic structure and formally contain a trivalent carbon(II) center. peerReviewed

https://doi.org/10.1002/chem.200900928