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Monika, , Aman, , Ansari, Azaj (2022) Theoretical insights for generation of terminal metal-oxo species and involvement of the “oxo wall”. New Journal of Chemistry, 46 (34) 16269-16272 doi:10.1039/d2nj03098e

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical insights for generation of terminal metal-oxo species and involvement of the “oxo wall”
JournalNew Journal of Chemistry
AuthorsMonika, Author
Aman, Author
Ansari, AzajAuthor
Year2022Volume46
Issue34
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/d2nj03098eSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID15407448Long-form Identifiermindat:1:5:15407448:7
GUID0
Full ReferenceMonika, , Aman, , Ansari, Azaj (2022) Theoretical insights for generation of terminal metal-oxo species and involvement of the “oxo wall”. New Journal of Chemistry, 46 (34) 16269-16272 doi:10.1039/d2nj03098e
Plain TextMonika, , Aman, , Ansari, Azaj (2022) Theoretical insights for generation of terminal metal-oxo species and involvement of the “oxo wall”. New Journal of Chemistry, 46 (34) 16269-16272 doi:10.1039/d2nj03098e
In(2022) New Journal of Chemistry Vol. 46 (34) Royal Society of Chemistry (RSC)

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Monika, , Kumar, Manjeet, Somi, , Sarkar, Arup, Gupta, Manoj Kumar, Ansari, Azaj (2023) Theoretical study of the formation of metal–oxo species of the first transition series with the ligand 14-TMC: driving factors of the “Oxo Wall”. Dalton Transactions, 52 (39) 14160-14169 doi:10.1039/d3dt02109b
Ahmed, Mukhtar; Srivastava, Sunita; Mohapatra, Ranjan Kumar; Monika,; Ansari, Mursaleem; Gupta, Manoj Kumar; Ansari, Azaj (2026) Computational insights into the role of oxidation state in C–H activation by high-valent iron and manganese oxo oxidants. Dalton Transactions, 55 (16). doi:10.1039/d6dt00258g
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
Ahmed, Mukhtar; Kumar, Manjeet; Ansari, Mursaleem; Gupta, Manoj Kumar; Ansari, Azaj (2026) Deciphering the mechanistic insights and reactivity trend of high-valent Mn/Fe/Co–oxo species toward C–H bond activation and oxygen atom transfer. Dalton Transactions, 55 (14). doi:10.1039/d5dt03104d
Monika, , Ansari, Azaj (2020) Mechanistic insights into the allylic oxidation of aliphatic compounds by tetraamido iron(v) species: A C–H vs. O–H bond activation. New Journal of Chemistry, 44 (44) 19103-19112 doi:10.1039/d0nj03095c
Monika, , Ansari, Azaj (2022) Effect of the ring size of TMC ligands in controlling C–H bond activation by metal-superoxo species. Dalton Transactions, 51 (15) 5878-5889 doi:10.1039/d2dt00491g
Nayak, Panisha, Nayak, Manisha, Meena, Kiran, Kar, Sanjib (2022) Oxo(corrolato)vanadium(iv) catalyzed epoxidation: oxo(peroxo)(corrolato)vanadium(v) is the true catalytic species. New Journal of Chemistry, 46 (10) 4634-4646 doi:10.1039/d1nj06015e
Kumar, Ravi, Ansari, Azaj, Rajaraman, Gopalan (2018) Axial vs. Equatorial Ligand Rivalry in Controlling the Reactivity of Iron(IV)-Oxo Species: Single-State vs. Two-State Reactivity. Chemistry - A European Journal, 24 (26). 6818-6827 doi:10.1002/chem.201800380
Kumar, Manjeet, Gupta, Manoj Kumar, Ansari, Mursaleem, Ansari, Azaj (2024) C–H bond activation by high-valent iron/cobalt–oxo complexes: a quantum chemical modeling approach. Physical Chemistry Chemical Physics, 26 (5) 4349-4362 doi:10.1039/d3cp05866b
Yadav, Oval, Kumar, Manjeet, Mohapatra, Ranjan K., Gupta, Manoj Kumar, Ansari, Mursaleem, Ansari, Azaj (2024) Mechanistic insights on the epoxidation of alkenes by high-valent non-heme Fe(iv) and Fe(v) oxidants: a comparative theoretical study. New Journal of Chemistry, 48 (14) 6132-6141 doi:10.1039/d3nj05528k
Sen, Asmita, Ansari, Azaj, Swain, Abinash, Pandey, Bhawana, Rajaraman, Gopalan (2023) Probing the Origins of Puzzling Reactivity in Fe/Mn–Oxo/Hydroxo Species toward C–H Bonds: A DFT and Ab Initio Perspective. Inorganic Chemistry, 62 (37) 14931-14941 doi:10.1021/acs.inorgchem.3c01632
 
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