Simulating Resonance Raman Spectroscopy with the IMDHO model

  • Resonance Raman spectroscopy (RRS) is an optical Raman technique in which the incident photon energy is in resonance with an electronic transition of the system.

  • RRS selectively enhances molecular vibrations that couple strongly to the electronic transition. The signals are much stronger than in non-resonant Raman.

  • RRS is sensitive to excited-state dynamics.

  • RRS are computed with the "independent-mode, displaced harmonic oscillator" (IMDHO) model.

RRS of phenoxyl radical

RRS of para-nitroaniline