Ultrafast Proton Transfer Pathways Mediated by Imidazole

Abstract

We explore with ultrafast infrared spectroscopy and molecular dynamics simulations how imidazole, an amphoteric molecule that can act both as acid and as base, provides alternate proton transfer pathways in the tautomerization reaction of 7-hydroxyquinoline.

Detailed Complementary Consistency: Wave Function Tells Particle How to Hop, Particle Tells Wave Function How to Collapse

“…In chemistry, physics, biology, and materials science, many important processes (e.g., proton transfer, [1][2][3] charge transport, [4][5][6] exciton diffusion, [7][8][9] energy relaxation, [10][11][12][13] and singlet fission [14][15][16][17] ) all belong to the category of nonadiabatic dynamics. Due to the presence of quantum transitions, the traditional Born-Oppenheimer approximation is no longer valid, and the electronic and nuclear dynamics become strongly coupled.…”

Detailed Complementary Consistency: Wave Function Tells Particle How to Hop, Particle Tells Wave Function How to Collapse

“…In chemistry, physics, biology, and materials science, many important processes (e.g. proton transfer 1,2 , charge transport 3,4 , exciton diffusion 5,6 , energy relaxation 7,8 , and singlet fission 9,10 ) all belong to the category of nonadiabatic dynamics. Due to the presence of quantum transitions, the traditional Born-Oppenheimer approximation is no longer valid, and the electronic and nuclear dynamics are strongly coupled.…”