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Updated: Mar 14, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Resonance Raman spectroscopy study of protonated porphyrin
A Gorski1, A Starukhin2, S Stavrov3
1Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka, 44/52, 01-224 Warsaw, Poland.
Abstract:
Resonance Raman microscopy was used to study the resonance Raman scattering of the diacid (diprotonated form) of free-base porphyrin (21H,23H-porphine) in a crystal powder and KBr pellets. Intensive lines in the spectral range between 100÷1000cm-1 have been detected and assigned as spectral manifestation of out-of-plane modes. The Raman spectra were simulated by means of DFT methods and compared with the experimental data. It is evident from experimental and theoretical results that the activation of out-of-plane modes arises from saddle distortion of the porphyrin macrocycle upon formation of its diprotonated form.
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