Resonance Raman spectroscopy study of protonated porphyrin.
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-1have 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.
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka, 44/52, 01-224 Warsaw, Poland. Electronic address: agorski@ichf.edu.pl.
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Gorski
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka, 44/52, 01-224 Warsaw, Poland; B. I. Stepanov Institute of Physics, National Academy of Science of Belarus, Nezalezhnasti Ave., 70, 220072 Minsk, Belarus.
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Starukhin
Sackler Institute of Molecular Medicine, Department of Human Molecular Genetics and Biochemistry, Sackler School of Medicine, Tel Aviv University, Tel Aviv 69978, Israel.
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Stavrov
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka, 44/52, 01-224 Warsaw, Poland.
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Gawinkowski
Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka, 44/52, 01-224 Warsaw, Poland; Faculty of Mathematics and Natural Sciences, College of Science, Cardinal Stefan Wyszyński University, Dewajtis 5, 01-815 Warsaw, Poland.
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Waluk
DFT analysis and modeling; Distortion of porphyrin macrocycle; Out-of-plane modes; Protonated porphyrin; Raman microscopy