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.
Source:
Organic and Biomolecular Chemistry, 2017, 15, 37, 7860-7868
TY - JOUR
AU - Stepanović, Stepan
AU - Angelone, D.
AU - Gruden-Pavlović, Maja
AU - Swart, Marcel
PY - 2017
UR - https://cherry.chem.bg.ac.rs/handle/123456789/2536
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 and 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
UR - Kon_3352
ER -
@article{
author = "Stepanović, Stepan and Angelone, D. and Gruden-Pavlović, Maja and Swart, Marcel",
year = "2017",
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 and 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",
url = "Kon_3352"
}
Stepanović, S., Angelone, D., Gruden-Pavlović, M.,& Swart, M.. (2017). The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2. in Organic and Biomolecular Chemistry
Royal Soc Chemistry, Cambridge., 15(37), 7860-7868.
https://doi.org/10.1039/c7ob01814b
Kon_3352
Stepanović S, Angelone D, Gruden-Pavlović M, Swart M. The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2. in Organic and Biomolecular Chemistry. 2017;15(37):7860-7868.
doi:10.1039/c7ob01814b
Kon_3352 .
Stepanović, Stepan, Angelone, D., Gruden-Pavlović, Maja, Swart, Marcel, "The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O-2" in Organic and Biomolecular Chemistry, 15, no. 37 (2017):7860-7868,
https://doi.org/10.1039/c7ob01814b .,
Kon_3352 .
