Abstract
AbstractThree novel silicon photosensitizers (PSs) are discovered with prospects to be utilized in psoralen ultra‐violet A (PUVA) cancer therapy, at B3LYP/6‐311++G** level of theory. They include 5‐methoxysilolo[3,2‐g]chromen‐2(8H)‐one (1), 5‐methoxybenzo[4,5]silolo[3,2‐g]chromen‐2(10H)‐one (2), and 11‐methoxybenzo[c]silolo[3,2‐g]chromen‐5(8H)‐one (3). Structures 1‐3 exhibit intense narrow absorption peaks in the ultra violet A (UVA) therapeutic window and show T1 energies necessary to activate the ground state triplet molecular oxygen (3O2) to its singlet excited state (1O2).
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