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Ansari, Azaj, Kaushik, Abhishek, Rajaraman, Gopalan (2013) Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates. Journal Of The American Chemical Society, 135 (11) 4235-4249 doi:10.1021/ja307077f

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Reference TypeJournal (article/letter/editorial)
TitleMechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates
JournalJournal Of The American Chemical Society
AuthorsAnsari, AzajAuthor
Kaushik, AbhishekAuthor
Rajaraman, GopalanAuthor
Year2013 (March 20)Volume135
Issue11
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja307077fSearch in ResearchGate
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Mindat Ref. ID1753685Long-form Identifiermindat:1:5:1753685:3
GUID0
Full ReferenceAnsari, Azaj, Kaushik, Abhishek, Rajaraman, Gopalan (2013) Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates. Journal Of The American Chemical Society, 135 (11) 4235-4249 doi:10.1021/ja307077f
Plain TextAnsari, Azaj, Kaushik, Abhishek, Rajaraman, Gopalan (2013) Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates. Journal Of The American Chemical Society, 135 (11) 4235-4249 doi:10.1021/ja307077f
In(2013, March) Journal Of The American Chemical Society Vol. 135 (11) American Chemical Society (ACS)

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Kumar, Ravi, Pandey, Bhawana, Singh, Akta, Rajaraman, Gopalan (2021) Mechanistic Insights into the Oxygen Atom Transfer Reactions by Nonheme Manganese Complex: A Computational Case Study on the Comparative Oxidative Ability of Manganese-Hydroperoxo vs High-Valent MnIV═O and MnIV–OH Intermediates. Inorganic Chemistry, 60 (16) 12085-12099 doi:10.1021/acs.inorgchem.1c01306
Kumar, Ravi, Ansari, Azaj, Comba, Peter, Rajaraman, Gopalan (2024) Rebound or Cage Escape? The Role of the Rebound Barrier for the Reactivity of Non‐Heme High‐Valent FeIV=O Species. Chemistry – A European Journal, 30 (6) doi:10.1002/chem.202303300
Pandey, Bhawana, Jaccob, Madhavan, Rajaraman, Gopalan (2017) Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIVNTs/FeIVO species: the σ vs. the π channels. Chemical Communications, 53 (22). 3193-3196 doi:10.1039/c6cc08761b
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Ansari, Mursaleem, Rajaraman, Gopalan (2023) Comparative oxidative ability of mononuclear and dinuclear high-valent iron–oxo species towards the activation of methane: does the axial/bridge atom modulate the reactivity?. Dalton Transactions, 52 (2) 308-325 doi:10.1039/d2dt02559k
Ansari, Mursaleem, Vyas, Nidhi, Ansari, Azaj, Rajaraman, Gopalan (2015) Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity. Dalton Transactions, 44 (34). 15232-15243 doi:10.1039/c5dt01060h
Jaccob, Madhavan, Ansari, Azaj, Pandey, Bhawana, Rajaraman, Gopalan (2013) Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme MnIV/IIIO complexes: how important is the oxo ligand basicity in the C–H activation step?. Dalton Transactions, 42 (47). 16518pp. doi:10.1039/c3dt52290c
Jaccob, Madhavan, Rajaraman, Gopalan (2012) A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent FeIVNTs species. Dalton Transactions, 41 (34). 10430pp. doi:10.1039/c2dt31071f
Bassan, Arianna, Blomberg, Margareta R. A., Siegbahn, Per E. M., Que, Lawrence (2005) A Density Functional Study on a Biomimetic Non-Heme Iron Catalyst: Insights into Alkane Hydroxylation by a Formally HO?FeV?O Oxidant. Chemistry - A European Journal, 11 (2). 692-705 doi:10.1002/chem.200400383
Phelan, Ryan M., Townsend, Craig A. (2013) Mechanistic Insights into the Bifunctional Non-Heme Iron Oxygenase Carbapenem Synthase by Active Site Saturation Mutagenesis. Journal Of The American Chemical Society, 135 (20) 7496-7502 doi:10.1021/ja311078s
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