Resonance Raman spectroscopy study of protonated porphyrin

A. Gorski; A. Starukhin; S. Stavrov; S. Gawinkowski; J. Waluk

doi:10.1016/j.saa.2016.09.038

Resonance Raman spectroscopy study of protonated porphyrin

A. Gorski^*, A. Starukhin, S. Stavrov, S. Gawinkowski, J. Waluk

^*Corresponding author for this work

Human Molecular Genetics Biochemistry

Research output: Contribution to journal › Article › peer-review

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 ÷ 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.

Original language	English
Pages (from-to)	350-355
Number of pages	6
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	173
DOIs	https://doi.org/10.1016/j.saa.2016.09.038
State	Published - 15 Feb 2017

Keywords

DFT analysis and modeling
Distortion of porphyrin macrocycle
Out-of-plane modes
Protonated porphyrin
Raman microscopy

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10.1016/j.saa.2016.09.038

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title = "Resonance Raman spectroscopy study of protonated porphyrin",

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 ÷ 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.",

keywords = "DFT analysis and modeling, Distortion of porphyrin macrocycle, Out-of-plane modes, Protonated porphyrin, Raman microscopy",

author = "A. Gorski and A. Starukhin and S. Stavrov and S. Gawinkowski and J. Waluk",

note = "Publisher Copyright: {\textcopyright} 2016 Elsevier B.V.",

year = "2017",

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doi = "10.1016/j.saa.2016.09.038",

language = "אנגלית",

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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.

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

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JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

ER -

Resonance Raman spectroscopy study of protonated porphyrin

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