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Results: 11

Marika Di Berto Mancini, C. Maurits de Roo, AndyS. Sardjan, Ronald Hage, Giorgio Olivo, Osvaldo Lanzalunga, Marcel Swart, Wesley R. Browne
A Transient, Highly Reactive Fe(IV)═O Species Revealed Through the Interference by O2 in the Activation of Organic Peracids by [(N4Py)Fe(II)]2+
ACS Catal., 2025, 15, 7482-7495
DOI: 10.1021/acscatal.5c00706
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Oxidation, Reaction mechanisms

David D. Hebert, Ankita Puri, Daniel Ye, Allison McAninch, Amanda Chisholm, Maxime A. Siegler, Marcel Swart, Isaac Garcia-Bosch
Synthesis and Characterization of Copper Complexes Featuring a Redox-Active ONO Ligand in Three Molecular Oxidation States
Inorg. Chem., 2025, 64, 11204-11218
DOI: 10.1021/acs.inorgchem.5c01578
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Spectroscopy, Spin states

Juan Chen, AndyS. Sardjan, C. Maurits de Roo, Marika Di Berto Mancini, Apparao Draksharapu, Davide Angelone, Ronald Hage, Marcel Swart, Wesley R. Browne
Generation of [(N4Py)Fe(IV)═O]2+ through Heterolytic O–O Bond Cleavage in [(N4Py)Fe(II)(OOH)]+
Inorg. Chem., 2025, 64, 9408-9417
DOI: 10.1021/acs.inorgchem.4c05172
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Oxidation, Reaction mechanisms, Spectroscopy

Oscar Reid Kelly, Brendan Twamley, Marcel Swart, Aidan R. McDonald
Electrostatic Fields Induce Accelerated Proton Coupled Electron Transfer Rates in Chlorophyll Model Compounds
J. Am. Chem. Soc., 2025, [], ASAP-
DOI: 10.1021/jacs.5c09511
OpenAccess: Link
Keywords: Electron and energy transfer, Homogeneous catalysis, Joint Exp-Comp, Oxidation, Spectroscopy

Michael Jirasek, Abhishek Sharma, Jessica R. Bame, S. HessamM. Mehr, Nicola Bell, Stuart M. Marshall, Cole Mathis, Alasdair MacLeod, Geoffrey J. T. Cooper, Marcel Swart, Rosa Mollfulleda, Leroy Cronin
Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy
ACS Cent. Sci., 2024, 10, 1054-1064
DOI: 10.1021/acscentsci.4c00120
OpenAccess: Link
Keywords: Computational chemistry, Joint Exp-Comp, Predictive Chemistry, Spectroscopy

Sunipa Goswami, Karan Gill, Xinyi Yin, Marcel Swart, Isaac Garcia-Bosch
Cu-Promotedipso -Hydroxylation of sp2 Bonds with Concomitant Aromatic 1,2-Rearrangement Involving a Cu-oxyl-hydroxo Species
Inorg. Chem., 2024, 63, 20675-20688
DOI: 10.1021/acs.inorgchem.4c03304
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms

Daniel Ye, Tong Wu, Ankita Puri, David D. Hebert, Maxime A. Siegler, MichaelP. Hendrich, Marcel Swart, Isaac Garcia-Bosch
Enhanced Proton-Coupled Electron-Transfer Reactivity by a Mononuclear Nickel(II) Hydroxide Radical Complex
Inorg. Chem., 2024, 63, 24453-24465
DOI: 10.1021/acs.inorgchem.4c03370
OpenAccess: Link
Keywords: Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms

Tong Wu, Ankita Puri, YiLin Qiu, Daniel Ye, Rajdeep Sarma, Yiwen Wang, Tomasz Kowalewski, MaximeA. Siegler, Marcel Swart, Isaac Garcia-Bosch
Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H+ /4e– Electron-Coupled-Proton Buffers
Inorg. Chem., 2024, 63, 9014-9025
DOI: 10.1021/acs.inorgchem.4c00835
OpenAccess: Link
Keywords: Computational chemistry, Homogeneous catalysis, Joint Exp-Comp, Spectroscopy

Abhishek Das, Nabhendu Pal, Jin Xiong, Victor G. Young, Yisong Guo, Marcel Swart, Lawrence Que
10-Fold Increase in Hydrogen Atom Transfer Reactivity for a Series ofS = 1 FeIV ═O Complexes Over theS = 2 [(TQA)FeIV ═O]2+ Complex via Entropic Lowering of Reaction Barriers by Secondary Sphere Cycloalkyl Substitution
J. Am. Chem. Soc, 2024, 147, 292-304
10.1021/jacs.4c10120
OpenAccess: –
Keywords: High-valent metal complexes, Joint Exp-Comp, Oxidation, Reaction mechanisms, Spectroscopy

Duenpen Unjaroen, Daniél R. Duijnstee, Marika Di Berto Mancini, Juan Chen, Ronald Hage, Marcel Swart, Wesley R. Browne
Role of non-redox innocent ligand units in the oxidation of alcohols with H2O2 catalyzed by μ-oxido-diiron(III) bis-phenolato polypyridyl complexes
Journal of Inorganic Biochemistry, 2024, 260, 112698-
DOI: 10.1016/j.jinorgbio.2024.112698
OpenAccess: Link
Keywords: High-valent metal complexes, Homogeneous catalysis, Joint Exp-Comp, Reaction mechanisms, Spectroscopy

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