Computational Studies of C-B Bond Formation Reactions

The large presence of fluorocarbons in nature and its great stability encourage science community to found new methods to break the C-F bond of this compounds, because it could be used as a starting reactant in organic synthesis. The stability of aryl fluorides is given because its C-F bond is the strongest single bond in the nature. That is its principal characteristic and the reason of it lack of reactivity. For this reason, it is challenging for scientists found the manner for C-F cleavage. As the same wise, C-O becomes an alternative of C-F to avoid the fluoride waste. This Thesis is about the computational study of the C-F and C-O cleavage through the borylation catalysed by nickel catalyst.

Concretely, we have studied three borylation of C-F and C-O bonds and we compared it and show what have in common the three reactions.