Theoretical design of strong neutral radical-boron adducts: trisubstituted boranes as potential radical scavengers.

Abstract

The conditions of formation of strong two-center one-electron bonds in neutral compounds are discussed. Both molecular orbital and valence bond analyses show that good candidates are adducts of radicals ˙AR3 (A=C, Si, Ge) of low ionization energy (IE) with boranes BX3 of high electron affinity (EA). This is confirmed by ab initio calculations. The bond… (More)
DOI: 10.1002/cphc.201300361

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@article{Brada2013TheoreticalDO, title={Theoretical design of strong neutral radical-boron adducts: trisubstituted boranes as potential radical scavengers.}, author={Beno{\^i}t Bra{\"{i}da and Etienne Derat and Patrick Chaquin}, journal={Chemphyschem : a European journal of chemical physics and physical chemistry}, year={2013}, volume={14 12}, pages={2759-63} }