Modeling the Transient Changes in the Soret-Resonant Raman Intensities of Hemoglobin During The R→ T Transition

We have performed resonance Raman (RR) intensity calculations of the Soret-resonant Raman spectra of Ni and Zn Porphine to investigate observed core size intensity differences in the time-resolved Soret-resonant Raman (RR) spectra of hemoglobin. It was found that the metalloporphine intensities mainly derive from the expansion of the Cα—Cm and Cβ—Cβ bonds in the excited state, and that the observed differences are mainly due to the larger core-sized heme having a decreased Cα—Cm force constant and larger excited state porphyrin ring expansion.