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.
TY - JOUR
AU - Stepanović, Stepan
AU - Angelone, D.
AU - Gruden, Maja
AU - Swart, Marcel
PY - 2017
UR - http://cer.ihtm.bg.ac.rs/handle/123456789/2153
AB - 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.
PB - Royal Soc Chemistry, Cambridge
T2 - Organic & Biomolecular Chemistry
T1 - The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2
VL - 15
IS - 37
SP - 7860
EP - 7868
DO - 10.1039/c7ob01814b
ER -
@article{
author = "Stepanović, Stepan and Angelone, D. and Gruden, Maja and Swart, Marcel",
year = "2017",
url = "http://cer.ihtm.bg.ac.rs/handle/123456789/2153",
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.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "Organic & Biomolecular Chemistry",
title = "The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2",
volume = "15",
number = "37",
pages = "7860-7868",
doi = "10.1039/c7ob01814b"
}
Stepanović S, Angelone D, Gruden M, Swart M. The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2. Organic & Biomolecular Chemistry. 2017;15(37):7860-7868
Stepanović, S., Angelone, D., Gruden, M.,& Swart, M. (2017). The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2.
Organic & Biomolecular ChemistryRoyal Soc Chemistry, Cambridge., 15(37), 7860-7868.
https://doi.org/10.1039/c7ob01814b
Stepanović Stepan, Angelone D., Gruden Maja, Swart Marcel, "The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2" 15, no. 37 (2017):7860-7868,
https://doi.org/10.1039/c7ob01814b .
