Resonance Raman and FTIR spectra of Mg-porphyrazines
Gorski, A. ; Gawinkowski, S. ; Starukhin, A. ; Gladkov, L. ; Chizhova, N. ; Mamardashvili, N. ; Scheblykin, Ivan LU
and Waluk, J.
(2014)
In Journal of Molecular Structure
1058.
p.197-204
- Abstract
- Resonance Raman spectra (RRS) of Mg-tetraazaporphyrin (1) and Mg-tetraazaoctaphenylporphyrin (2) in solid crystal powder at ambient temperature and different excitation wavelengths were recorded and analyzed. FTIR spectra of 1 and 2 in solid crystal powder were also measured. On the basis of DFT quantum-chemical calculations the frequencies, maximum amplitude changes for internal coordinates, and the symmetry of the normal modes were calculated. The analysis of the experimental data and the results of quantum-chemical calculations allow us to carry out the assignment of modes manifested in the Raman and IR-spectra of 1 and 2 to the calculated set of vibrations. Differences in the orientation of the aryl rings of 2 and their modes... (More)
- Resonance Raman spectra (RRS) of Mg-tetraazaporphyrin (1) and Mg-tetraazaoctaphenylporphyrin (2) in solid crystal powder at ambient temperature and different excitation wavelengths were recorded and analyzed. FTIR spectra of 1 and 2 in solid crystal powder were also measured. On the basis of DFT quantum-chemical calculations the frequencies, maximum amplitude changes for internal coordinates, and the symmetry of the normal modes were calculated. The analysis of the experimental data and the results of quantum-chemical calculations allow us to carry out the assignment of modes manifested in the Raman and IR-spectra of 1 and 2 to the calculated set of vibrations. Differences in the orientation of the aryl rings of 2 and their modes manifestation in the spectra were identified and compared to metalloporphyrins with phenyl groups in mesa-positions. An explanation for the spectral changes upon substitution in beta-positions of pyrrolic rings by phenyl units is given, providing further elucidation of the structural features arising upon progressive substitution by phenyl groups for the design of new types of dendrimers. (C) 2013 Elsevier B.V. All rights reserved. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4318619
- author
- Gorski, A.
; Gawinkowski, S.
; Starukhin, A.
; Gladkov, L.
; Chizhova, N.
; Mamardashvili, N.
; Scheblykin, Ivan
LU
and Waluk, J.
- organization
- publishing date
- 2014
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Mg-tetraazaporphyrin, Mg-tetraazaoctaphenylporphyrin, Resonance Raman, spectra, DFT calculations, FTIR spectra, Zn-tetraphenylporphyrin
- in
- Journal of Molecular Structure
- volume
- 1058
- pages
- 197 - 204
- publisher
- Elsevier
- external identifiers
-
- wos:000330258200025
- scopus:84888234692
- ISSN
- 0022-2860
- DOI
- 10.1016/j.molstruc.2013.10.066
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
- id
- d16e306c-2511-403e-b727-664303a19d06 (old id 4318619)
- date added to LUP
- 2016-04-01 14:30:46
- date last changed
- 2022-01-28 00:57:31
@article{d16e306c-2511-403e-b727-664303a19d06,
abstract = {{Resonance Raman spectra (RRS) of Mg-tetraazaporphyrin (1) and Mg-tetraazaoctaphenylporphyrin (2) in solid crystal powder at ambient temperature and different excitation wavelengths were recorded and analyzed. FTIR spectra of 1 and 2 in solid crystal powder were also measured. On the basis of DFT quantum-chemical calculations the frequencies, maximum amplitude changes for internal coordinates, and the symmetry of the normal modes were calculated. The analysis of the experimental data and the results of quantum-chemical calculations allow us to carry out the assignment of modes manifested in the Raman and IR-spectra of 1 and 2 to the calculated set of vibrations. Differences in the orientation of the aryl rings of 2 and their modes manifestation in the spectra were identified and compared to metalloporphyrins with phenyl groups in mesa-positions. An explanation for the spectral changes upon substitution in beta-positions of pyrrolic rings by phenyl units is given, providing further elucidation of the structural features arising upon progressive substitution by phenyl groups for the design of new types of dendrimers. (C) 2013 Elsevier B.V. All rights reserved.}},
author = {{Gorski, A. and Gawinkowski, S. and Starukhin, A. and Gladkov, L. and Chizhova, N. and Mamardashvili, N. and Scheblykin, Ivan and Waluk, J.}},
issn = {{0022-2860}},
keywords = {{Mg-tetraazaporphyrin; Mg-tetraazaoctaphenylporphyrin; Resonance Raman; spectra; DFT calculations; FTIR spectra; Zn-tetraphenylporphyrin}},
language = {{eng}},
pages = {{197--204}},
publisher = {{Elsevier}},
series = {{Journal of Molecular Structure}},
title = {{Resonance Raman and FTIR spectra of Mg-porphyrazines}},
url = {{http://dx.doi.org/10.1016/j.molstruc.2013.10.066}},
doi = {{10.1016/j.molstruc.2013.10.066}},
volume = {{1058}},
year = {{2014}},
}