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Dr. Benoît Braïda, Dr. Etienne Derat and Prof. Dr. Patrick Chaquin Theoretical Design of Strong Neutral Radical–Boron Adducts: Trisubstituted Boranes as Potential Radical Scavengers ChemPhysChem 14

Version of Record online: 3 JUL 2013 | DOI: 10.1002/cphc.201300361

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Their strong point: Molecular orbital and valence bond analyses show that adducts of radicals .AR3 (A=C, Si, Ge) of low ionization energy with boranes BX3 of high electron affinity have strong two-center one-electron bonds. This is confirmed by ab initio calculations (see SOMOs in picture). Fluoroboranes such as B(CF3)3 should be efficient radical scavengers.

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