The full dynamics of energy relaxation in large organic molecules: from photo-excitation to solvent heating.

ABSTRACT: In some molecular systems, such as nucleobases, polyenes or the active ingredients of sunscreens, substantial amounts of photo-excitation energy are dissipated on a sub-picosecond time scale, raising questions such as: where does this energy go or among which degrees of freedom it is being distributed at such early times? Here we use transient absorption spectroscopy to track excitation energy dispersing from the optically accessible vibronic subsystem into the remaining vibrational subsystem of the solute and solvent. Monitoring the flow of energy during vibrational redistribution enables quantification of local molecular heating. Subsequent heat dissipation away from the solute molecule is characterized by classical thermodynamics and molecular dynamics simulations. Hence, we present a h

SUBMITTER: Balevicius V 

PROVIDER: S-EPMC6521204 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature