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Reduction of nitrat...
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Hauk, A.Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
(författare)
Reduction of nitrated phenols : A method to predict half-wave-potentials of nitrated phenols with molecular modeling
- Artikel/kapitelEngelska1990
Förlag, utgivningsår, omfång ...
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Elsevier,1990
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printrdacarrier
Nummerbeteckningar
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LIBRIS-ID:oai:DiVA.org:oru-47660
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https://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-47660URI
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https://doi.org/10.1016/0045-6535(90)90162-MDOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:ref swepub-contenttype
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Ämneskategori:art swepub-publicationtype
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The redox stability of 13 nitrated phenols was investigated using polarographic measured half-wave-potentials. These half-wave-potentials were compared with data from a semi-empirical quantum mechanic computer model. A good correlation was found between LUMO energy and the half-wave-potential for phenols, but for phenolates the correlation coefficient was lower, even when a multivariate regression model was used.
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Richartz, H.Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
(författare)
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Schramm, K. W.Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
(författare)
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Fiedler, Heidelore,1953-Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany(Swepub:oru)hefr
(författare)
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Chair of Ecological Chemistry and Geochemistry, University of Bayreuth, Bayreuth, Germany
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Chemosphere: Elsevier20:6, s. 717-7280045-65351879-1298
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