Experimental Data for: Internal Vibrational Energy Redistribution Precedes Energy Dissipation into the Solvent upon Photoexcitation of Heme Proteins

The measurements reveal distinct time constants (~6–10 ps) that characterize energy flow into water, depending on the protein and solvent (H₂O vs D₂O), highlighting a significant isotope effect. To interpret the experimental findings, the research integrates a computational thermal diffusion model that simulates energy propagation from the heme center outward. The model successfully reproduces the observed dynamics, supporting a diffusive, rather than ballistic, mode of energy transport through the protein matrix.

Overall, the project delivers key insights into protein–solvent thermal coupling, validates hierarchical vibrational relaxation pathways, and demonstrates the strength of OPTP spectroscopy as a tool for probing ultrafast biomolecular dynamics in a minimally invasive manner.