Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 76, Issue 3-4, Pages 388-394Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2010.03.037
Keywords
Chlorin e(6); Infrared spectra; DFT; Impurities
Categories
Funding
- National Academy of Sciences of Belarus [KMS 12]
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Fourier transform infrared spectra of chlorin e(6) and its trisodium salt are presented. The geometrical structure and frequencies of normal vibrations of both compounds were calculated using density functional method with the PBE exchange-correlation functional. The frequencies were assigned and IR spectra of the studied molecules were interpreted for the first time. Spectral effects of degradation of chlorin e(6) and its trisodium salt upon their storage on the air are analyzed. The possible structures of degraded species are discussed. (C) 2010 Elsevier B.V. All rights reserved.
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