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Disclosing the Structure/Activity Correlation in Trivalent Boron‐Containing Compounds: A Tendency Map
Author(s) -
Cid Jessica,
Carbó Jorge J.,
Fernández Elena
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201200987
Subject(s) - boron , electrophile , nucleophile , reagent , vacancy defect , chemistry , reactivity (psychology) , character (mathematics) , inorganic chemistry , crystallography , computational chemistry , organic chemistry , geometry , catalysis , mathematics , medicine , alternative medicine , pathology
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.