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Proceedings Paper

Spectra-structure correlation in metalloporphyrins
Author(s): M. L. Chernavina; K. V. Berezin; O. V. Kozlov; A. V. Novoselova; V. V. Nechaev
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Paper Abstract

The calculations of the geometrical parameters, frequencies of normal fluctuations and intensity in IR-spectrums of some metalloforbids (Mg-, Zn-, Cu-, Fe-e and Ni-forbid) have been performed by the matrix isolation technique B3LYP/6-311+G (d, p). In this article the absorption bands in IRspectra sensitive to the nature of the metal’s central ion were defined too. The correlations between the force of the interaction of the central ion of the metal with porphyrin macrocycle and the series of changes in the structural parameters have been established.

Paper Details

Date Published: 21 April 2016
PDF: 9 pages
Proc. SPIE 9917, Saratov Fall Meeting 2015: Third International Symposium on Optics and Biophotonics and Seventh Finnish-Russian Photonics and Laser Symposium (PALS), 99172N (21 April 2016); doi: 10.1117/12.2229734
Show Author Affiliations
M. L. Chernavina, N.G. Chernyshevsky Saratov State Univ. (Russian Federation)
K. V. Berezin, N.G. Chernyshevsky Saratov State Univ. (Russian Federation)
O. V. Kozlov, N.G. Chernyshevsky Saratov State Univ. (Russian Federation)
A. V. Novoselova, N.G. Chernyshevsky Saratov State Univ. (Russian Federation)
V. V. Nechaev, Yuri Gagarin Saratov State Technical Univ. (Russian Federation)


Published in SPIE Proceedings Vol. 9917:
Saratov Fall Meeting 2015: Third International Symposium on Optics and Biophotonics and Seventh Finnish-Russian Photonics and Laser Symposium (PALS)
Elina A. Genina; Valery V. Tuchin; Vladimir L. Derbov; Dmitry E. Postnov; Igor V. Meglinski; Kirill V. Larin; Alexander Borisovich Pravdin, Editor(s)

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