The impact of the chalcogen-substitution element and initial spectroscopic state on excited-state relaxation pathways in nucleobase photosensitizers: a combination of static and dynamic studies

Abstract

The substitution of oxygen with chalcogen in carbonyl group(s) of canonical nucleobases gives an impressive triplet generation, enabling their promising applications in medicine and other emerging techniques. The excited-state relaxation...

Unexpected longer T1 lifetime of 6-sulfur guanine than 6-selenium guanine: the solvent effect of hydrogen bonds to brake the triplet decay

“…Recently, there have been theoretical studies on simulating the excited dynamics after photoexcitation of selenonucleobases such as 6-selenoguanine and 2-selenouracil. 16–18 Similar to the thionucleobases, “S 2 → S 1 → T 2 → T 1 ” is still the main pathway for the excitation relaxation process. 19,20 T 1 decay dynamics was involved, and the difference between the thio- and seleno-derivatives was qualitatively explained.…”