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The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2
dc.creator | Stepanović, Stepan | |
dc.creator | Angelone, D. | |
dc.creator | Gruden-Pavlović, Maja | |
dc.creator | Swart, Marcel | |
dc.date.accessioned | 2018-11-22T00:41:19Z | |
dc.date.available | 2018-11-22T00:41:19Z | |
dc.date.issued | 2017 | |
dc.identifier.issn | 1477-0520 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/2536 | |
dc.description.abstract | Iron-dependent enzymes and biomimetic iron complexes can catalyze the ring cleavage of very inert, aromatic compounds. The mechanisms of these transformations and the factors that lead either to extradiol cleavage or intradiol cleavage have not been fully understood. By using density functional theory we have elucidated the mechanism of the catalytic cycle for two biomimetic complexes, and explained the difference in the experimentally obtained products. | en |
dc.publisher | Royal Soc Chemistry, Cambridge | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS// | |
dc.relation | FEDER fund (European Fund for Regional Development) [UNGI10-4E-801] | |
dc.relation | Xarxa de Referencia en Quimica Teorica i Computacional) | |
dc.relation | Ministerio de Economia y Competitividad (MINECO) [CTQ2014-59212-P, CTQ2015-70851-ERC] | |
dc.relation | MICINN | |
dc.relation | DIUE of the Generalitat de Catalunya [2014SGR1202] | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/4.0/ | |
dc.source | Organic and Biomolecular Chemistry | |
dc.title | The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2 | en |
dc.type | article | |
dc.rights.license | BY-NC | |
dcterms.abstract | Степановиц, С.; Сwарт, М.; Груден-Павловић, Маја; Aнгелоне, Д.; | |
dc.citation.volume | 15 | |
dc.citation.issue | 37 | |
dc.citation.spage | 7860 | |
dc.citation.epage | 7868 | |
dc.identifier.wos | 000412825400019 | |
dc.identifier.doi | 10.1039/c7ob01814b | |
dc.citation.other | 15(37): 7860-7868 | |
dc.citation.rank | M21 | |
dc.identifier.pmid | 28880037 | |
dc.description.other | Supplementary material: [ http://cherry.chem.bg.ac.rs/handle/123456789/2981] | |
dc.type.version | publishedVersion | |
dc.identifier.scopus | 2-s2.0-85030266060 | |
dc.identifier.fulltext | https://cherry.chem.bg.ac.rs/bitstream/id/9479/2534.pdf |