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Formation and Structure of a Stable Monoradical Cation by Reduction of a Diphosphafulvenium Salt
Author(s) -
Biaso Frédéric,
Cantat Thibault,
Mézailles Nicolas,
Ricard Louis,
Le Floch Pascal,
Geoffroy Michel
Publication year - 2006
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200603009
Subject(s) - dication , electron paramagnetic resonance , chemistry , crystallography , electron , crystal structure , electron density , reduction (mathematics) , computational chemistry , ion , physics , organic chemistry , quantum mechanics , mathematics , geometry
One‐electron reduction of a diphosphafulvenium dication gives the first stable diphosphafulvenium monoradical cation (see scheme). An X‐ray crystal structure analysis, EPR measurements, and DFT calculations clearly show that reduction takes place at the exocyclic double bond and that the excess of electron density is stabilized by the two electron‐withdrawing phosphonium groups (see SOMO; P orange, C dark gray, H light gray).