713144-61-7Relevant articles and documents
Definitive evidence for the contribution of biradical character in a closed-shell molecule, derivative of 1,4,-bis-(4,5-diphenylimidazol-2-ylidene)cyclohexa-2,5-diene
Kikuchi, Azusa,Iwahori, Fumiyasu,Abe, Jiro
, p. 6526 - 6527 (2007/10/03)
This study provides conclusive proof that the thermally excited open-shell state with biradical character is contributing to the ground state of a closed-shell molecule, tF-BDPI-2Y, where four hydrogen atoms at the central phenylene ring are substituted with four fluorine atoms of 1,4-bis-(4,5-diphenylimidazol-2-ylidene)cyclohexa-2,5-diene (BDPI-2Y). A small increase in the population of biradical species of tF-BDPI-2Y results in the formation of the dimer form by the radical recombination reaction. Controlling the equilibrium between a closed-shell diamagnetic-quinoid state and an open-shell paramagnetic-biradical state will provide significant progress in the field of π-conjugated delocalized biradical chemistry. Copyright