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2 Mechanistic Aspects of Carbon—Boron Bond Formation

DOI: 10.1055/sos-SD-230-00002

Carbó, J. J.; Maseras, F.Science of Synthesis: Advances in Organoboron Chemistry towards Organic Synthesis, (201915.

General Introduction

The synthesis of organoboron compounds usually requires the selective formation of carbonboron bonds under mild reaction conditions. In recent years, this goal has been accomplished through a number of approaches; many of them are reviewed in other chapters within this volume. Further progress in the field will surely be enhanced by a better understanding of the detailed mechanisms of the processes involved. These mechanisms are often complicated and difficult to determine because of the presence of intermediates that cannot be always isolated. Computational chemistry is a powerful tool for precise mechanistic characterization because of the ability to characterize otherwise elusive reaction steps. Calculations have proved their value in a number of areas of homogeneous catalysis,[‌1‌] and they have also been used repeatedly in the field of carbonboron bond formation. The role of computational chemistry in this field is, in fact, acknowledged in a number of reviews focused on experimental investigations,[‌2‌‌7‌] but there are few reviews focused on the mechanistic understanding gained from calculations on carbonboron bond formation.[‌8‌]

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