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Boron-Nitrogen (B-N) Lewis adducts form a versatile family of compounds withnumerous applications in functional molecules. Despite the growing interest inthis family of compounds for optoelectronic applications, little is currentlyknown about their photophysics and photochemistry. Even the electronicabsorption spectrum of ammonia borane, the textbook example of a B-N Lewisadduct, is unavailable. Given the versatility of the light-induced processesexhibited by these molecules, we propose in this work a detailed theoreticalstudy of the photochemistry and photophysics of simple B-N Lewis adducts. Weused advanced techniques in computational photochemistry to identify andcharacterize the possible photochemical pathways followed by ammonia borane,and extended this knowledge to the substituted B-N Lewis adductspyridine-borane and pyridine-boric acid. The photochemistry observed for thisseries of molecules allows us to extract qualitative rules to rationalize thelight-induced behavior of more complex B-N containing molecules.

A Theoretical Perspective on the Photochemistry of Boron-Nitrogen Lewis Adducts