Adelino M. Galvão

TL;DR: Investigation of excited-state proton transfer in Indigo and its monohexyl-substituted derivative in solution found that the reaction proceeds through a single ESPT mechanism driven by an Arrhenius-type activation through a saddle point, which is enhanced by tunneling through the barrier.

TL;DR: In this paper, the structural trends of the limiting structures depicted by these pseudo-octahedral complexes as well as the pathways to their interconversion were analyzed by ab initio theoretical calculations, which showed that the equatorial species predominates at room temperature but that two forms differing only by the conformation of the allyl coexist.

TL;DR: In this article, the first molecular hyperpolarizabilities (β) determined by hyper-Rayleigh scattering at 1064 nm were derived for FeCp(P(P_P)(p-NCR)][PF6] with the highest β value (570×10−30 esu).

TL;DR: In this article, it was shown that the less exuberant hemiketal form of three common anthocyanins (pelargonin, cyanin, and malvin) is equally efficient at dissipating the absorbed (UV-B) radiation into heat by fast photo-tautomerization, which yields the cis-chalcone form in its ground state in a few picoseconds.