Reaction of NHOs with Bisphosphanes - Designing Diradicaloids, Zwitterions and Radicals.

ABSTRACT: The linkage of an imidazole-based N-heterocyclic olefin (NHO), containing a terminal CH₂ donor group, with a phosphorus-centered diradical molecular fragment leads to an open-shell singlet diphospha-indenylide system, a new class of P-heterocycles, which can be interpreted both as a phosphorus-centered diradicaloid and as a zwitterion with a permanent, overall charge separation between the N- and P-heterocyclic ring systems. The rotation of the imidazole ring, which is thermally possible due to a central C-C bond with a weakened π-component, changes both the charge separation and diradical character depending on the dihedral angle, as quantum mechanical calculations indicate. By varying the bulkiness of substituents at the imidazole-based NHO, it was possible to obtain different

SUBMITTER: Ludtke KP 

PROVIDER: S-EPMC11976208 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature