FTIR and UV/vis as methods for evaluation of oxidative degradation of model paper: DFT approach for carbonyl vibrations (Articolo in rivista)

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  • FTIR and UV/vis as methods for evaluation of oxidative degradation of model paper: DFT approach for carbonyl vibrations (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/j.carbpol.2010.04.087 (literal)
Alternative label
  • Lojewski T. (a); Miskowiec P. (a); Missori M. (b); Lubanska A. (c); Proniewicz L.M. (a); Lojewska J. (a); (2010)
    FTIR and UV/vis as methods for evaluation of oxidative degradation of model paper: DFT approach for carbonyl vibrations
    in Carbohydrate polymers; Elsevier B.V., Amsterdam (Belgio)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Lojewski T. (a); Miskowiec P. (a); Missori M. (b); Lubanska A. (c); Proniewicz L.M. (a); Lojewska J. (a); (literal)
Pagina inizio
  • 370 (literal)
Pagina fine
  • 375 (literal)
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  • http://www.sciencedirect.com/science/article/pii/S0144861710003759 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 82 (literal)
Rivista
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  • Elsevier. (literal)
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  • 6 (literal)
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  • 2 (literal)
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • a) Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Kraków, Poland; b)Istituto dei Sistemi Complessi, Consiglio Nazionale delle Ricerche, Via del Fosso del Cavaliere 100, I-00133 Rome, Italy; c) Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Niezapominajek 8, 30-239 Kraków, Poland; (literal)
Titolo
  • FTIR and UV/vis as methods for evaluation of oxidative degradation of model paper: DFT approach for carbonyl vibrations (literal)
Abstract
  • The oxidative route of cellulose degradation during artificial ageing of paper in humid air (RH 59%, 90 °C) has been followed by FTIR and UV/vis spectroscopic methods providing a vibrational pattern of carbonyl groups and electronic transitions of chromophores, respectively. Conjugated ketonic groups with vibrational modes around 1610 cm-1 were correlated to the chromophores emerging in the range between 230 and 440 nm detected by UV/vis spectroscopy. The FTIR spectra of degraded cellulose were interpreted using quantum-chemical modelling based on the DFT method performed on the model molecule of cellopentose. Based on this carbonyl FTIR bands were assigned to specific vibrations. The UV/vis and FTIR correlations together with the theoretical charge distribution rationalized the possible mechanism of oxidative glycosidic bond cleavage. (literal)
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