TY - JOUR
T1 - Resonance Raman spectroscopy study of protonated porphyrin
AU - Gorski, A.
AU - Starukhin, A.
AU - Stavrov, S.
AU - Gawinkowski, S.
AU - Waluk, J.
N1 - Publisher Copyright:
© 2016 Elsevier B.V.
PY - 2017/2/15
Y1 - 2017/2/15
N2 - 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 ÷ 1000 cm− 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.
AB - 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 ÷ 1000 cm− 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.
KW - DFT analysis and modeling
KW - Distortion of porphyrin macrocycle
KW - Out-of-plane modes
KW - Protonated porphyrin
KW - Raman microscopy
UR - http://www.scopus.com/inward/record.url?scp=84988632608&partnerID=8YFLogxK
U2 - 10.1016/j.saa.2016.09.038
DO - 10.1016/j.saa.2016.09.038
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C2 - 27685003
AN - SCOPUS:84988632608
SN - 1386-1425
VL - 173
SP - 350
EP - 355
JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
ER -