title: Disclosing the structure/activity correlation in trivalent boron-containing compounds: a tendency map.
abstract: Most trivalent boron reagents are electrophiles owing to the vacancy for two electrons to fill the outer orbital of boron; however, interestingly, trivalent boron compounds can change their electrophilic character to a nucleophilic character by only changing the nature of the substituents on the boron atoms. With the help of computational tools, we have analyzed the structural- and electronic properties of boryl fragments that were either bonded to main-group metals or coordinated to transition-metals/rare-earth-metals and we have designed a map that might help to identify certain trends. This trend map will be useful for selecting an appropriate trivalent boron compound, depending on the sought reactivity.
authors.affiliation: Department Química Física i Inorgànica, University Rovira i Virgili, Tarragona, Spain.
authors.forename: Jessica
authors.initials: J
authors.lastname: Cid
authors.forename: Jorge J
authors.initials: JJ
authors.lastname: Carbó
authors.forename: Elena
authors.initials: E
authors.lastname: Fernández