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  • Larry Que
2018

Sc 3+ (or HClO 4 ) Activation of a Nonheme Fe III -OOH Intermediate for the Rapid Hydroxylation of Cyclohexane and Benzene

Kal, S., Draksharapu, A. & Que, L., May 2 2018, In : Journal of the American Chemical Society. 140, 17, p. 5798-5804 7 p.

Research output: Contribution to journalArticle

Open Access
20 Scopus citations
2017

Characterization of the Fleeting Hydroxoiron(III) Complex of the Pentadentate TMC-py Ligand

Ching, W. M., Zhou, A., Klein, J. E. M. N., Fan, R., Knizia, G., Cramer, C. J., Guo, Y. & Que, L., Jan 1 2017, In : Inorganic chemistry. 56, 18, p. 11129-11140 12 p.

Research output: Contribution to journalArticle

14 Scopus citations

Direct photochemical actIVation of non-heme Fe(IV)O complexes

Chen, J., Draksharapu, A., Harvey, E., Rasheed, W., Que, L. & Browne, W. R., Jan 1 2017, In : Chemical Communications. 53, 91, p. 12357-12360 4 p.

Research output: Contribution to journalArticle

8 Scopus citations
2019

Acid p Ka Dependence in O-O Bond Heterolysis of a Nonheme FeIII-OOH Intermediate to Form a Potent FeV=O Oxidant with Heme Compound I-Like Reactivity

Xu, S., Draksharapu, A., Rasheed, W. & Que, L., Oct 9 2019, In : Journal of the American Chemical Society. 141, 40, p. 16093-16107 15 p.

Research output: Contribution to journalArticle

5 Scopus citations
2017
7 Scopus citations

60 years of dioxygen activation

Que, L., Apr 1 2017, In : Journal of Biological Inorganic Chemistry. 22, 2-3, p. 171-173 3 p.

Research output: Contribution to journalEditorial

Open Access
13 Scopus citations
63 Scopus citations
2019

A Mn II Mn III -Peroxide Complex Capable of Aldehyde Deformylation

Magherusan, A. M., Kal, S., Nelis, D. N., Doyle, L. M., Farquhar, E. R., Que, L. & McDonald, A. R., Apr 16 2019, In : Angewandte Chemie - International Edition. 58, 17, p. 5718-5722 5 p.

Research output: Contribution to journalArticle

2 Scopus citations
2017

CmlI N-Oxygenase Catalyzes the Final Three Steps in Chloramphenicol Biosynthesis without Dissociation of Intermediates

Komor, A. J., Rivard, B. S., Fan, R., Guo, Y., Que, L. & Lipscomb, J. D., Sep 19 2017, In : Biochemistry. 56, 37, p. 4940-4950 11 p.

Research output: Contribution to journalArticle

Open Access
6 Scopus citations
2019

Spectroscopic and Reactivity Comparisons between Nonheme Oxoiron(IV) and Oxoiron(V) Species Bearing the Same Ancillary Ligand

Dantignana, V., Serrano-Plana, J., Draksharapu, A., Magallón, C., Banerjee, S., Fan, R., Gamba, I., Guo, Y., Que, L., Costas, M. & Company, A., Sep 25 2019, In : Journal of the American Chemical Society. 141, 38, p. 15078-15091 14 p.

Research output: Contribution to journalArticle

Open Access
5 Scopus citations
2017

Spectroscopic and Reactivity Comparisons of a Pair of bTAML Complexes with FeV=O and FeIV=O Units

Pattanayak, S., Jasniewski, A. J., Rana, A., Draksharapu, A., Singh, K. K., Weitz, A., Hendrich, M., Que, L., Dey, A. & Sen Gupta, S., Jun 5 2017, In : Inorganic chemistry. 56, 11, p. 6352-6361 10 p.

Research output: Contribution to journalArticle

Open Access
19 Scopus citations
2018

Oxoiron(IV) complexes as synthons for the assembly of heterobimetallic centers such as the Fe/Mn active site of Class Ic ribonucleotide reductases

Zhou, A., Crossland, P. M., Draksharapu, A., Jasniewski, A. J., Kleespies, S. T. & Que, L., Jan 1 2018, In : Journal of Biological Inorganic Chemistry. 23, 1, p. 155-165 11 p.

Research output: Contribution to journalArticle

Open Access
3 Scopus citations
2019

Carboxylate Structural Effects on the Properties and Proton-Coupled Electron Transfer Reactivity of [CuO2CR]2+ Cores

Elwell, C. E., Mandal, M., Bouchey, C. J., Que, L., Cramer, C. J. & Tolman, W. B., Dec 2 2019, In : Inorganic Chemistry. 58, 23, p. 15872-15879 8 p.

Research output: Contribution to journalArticle

1 Scopus citations
2018

Spectroscopic and DFT Characterization of a Highly Reactive Nonheme FeV-Oxo Intermediate

Fan, R., Serrano-Plana, J., Oloo, W. N., Draksharapu, A., Delgado-Pinar, E., Company, A., Martin-Diaconescu, V., Borrell, M., Lloret-Fillol, J., García-España, E., Guo, Y., Bominaar, E. L., Que, L., Costas, M. & Münck, E., Mar 21 2018, In : Journal of the American Chemical Society. 140, 11, p. 3916-3928 13 p.

Research output: Contribution to journalArticle

31 Scopus citations
2017

Facile and Reversible Formation of Iron(III)–Oxo–Cerium(IV) Adducts from Nonheme Oxoiron(IV) Complexes and Cerium(III)

Draksharapu, A., Rasheed, W., Klein, J. E. M. N. & Que, L., Jan 1 2017, In : Angewandte Chemie - International Edition. 56, 31, p. 9091-9095 5 p.

Research output: Contribution to journalArticle

Open Access
15 Scopus citations

Oxoiron(IV) Tetramethylcyclam Complexes with Axial Carboxylate Ligands: Effect of Tethering the Carboxylate on Reactivity

Bigelow, J. O., England, J., Klein, J. E. M. N., Farquhar, E. R., Frisch, J. R., Martinho, M., Mandal, D., Münck, E., Shaik, S. & Que, L., Mar 20 2017, In : Inorganic chemistry. 56, 6, p. 3287-3301 15 p.

Research output: Contribution to journalArticle

12 Scopus citations

High-Energy-Resolution Fluorescence-Detected X-ray Absorption of the Q Intermediate of Soluble Methane Monooxygenase

Castillo, R. G., Banerjee, R., Allpress, C. J., Rohde, G. T., Bill, E., Que, L., Lipscomb, J. D. & DeBeer, S., Dec 13 2017, In : Journal of the American Chemical Society. 139, 49, p. 18024-18033 10 p.

Research output: Contribution to journalArticle

Open Access
33 Scopus citations
2018
Open Access
16 Scopus citations
2019
6 Scopus citations
2017

Unprecedented (μ-1,1-Peroxo)diferric Structure for the Ambiphilic Orange Peroxo Intermediate of the Nonheme N-Oxygenase CmlI

Jasniewski, A. J., Komor, A. J., Lipscomb, J. D. & Que, L., Aug 2 2017, In : Journal of the American Chemical Society. 139, 30, p. 10472-10485 14 p.

Research output: Contribution to journalArticle

Open Access
11 Scopus citations
2020

Sc3+-Promoted O-O Bond Cleavage of a (μ-1,2-Peroxo)diiron(III) Species Formed from an Iron(II) Precursor and O2to Generate a Complex with an FeIV2(μ-O)2Core

Banerjee, S., Draksharapu, A., Crossland, P. M., Fan, R., Guo, Y., Swart, M. & Que, L., Mar 4 2020, In : Journal of the American Chemical Society. 142, 9, p. 4285-4297 13 p.

Research output: Contribution to journalArticle

2019

Trapping iron(III)-Oxo species at the boundary of the "oxo Wall": Insights into the nature of the Fe(III)-O bond

Andris, E., Navrátil, R., Jašík, J., Puri, M., Costas, M., Que, L. & Roithovaá, J., Oct 30 2019, In : Journal of the American Chemical Society. 140, 43, p. 14391-14400 10 p.

Research output: Contribution to journalArticle

15 Scopus citations
2020

Bio-inspired Nonheme Iron Oxidation Catalysis: Involvement of Oxoiron(V) Oxidants in Cleaving Strong C−H Bonds

Kal, S., Xu, S. & Que, L., May 4 2020, In : Angewandte Chemie - International Edition. 59, 19, p. 7332-7349 18 p.

Research output: Contribution to journalReview article

5 Scopus citations
2018

Detection of a transient FeV(O)(OH) species involved in olefin oxidation by a bio-inspired non-haem iron catalyst

Xu, S., Veach, J. J., Oloo, W. N., Peters, K. C., Wang, J., Perry, R. H. & Que, L., Jan 1 2018, In : Chemical Communications. 54, 63, p. 8701-8704 4 p.

Research output: Contribution to journalArticle

5 Scopus citations
2019

NMR Reveals That a Highly Reactive Nonheme FeIV=O Complex Retains Its Six-Coordinate Geometry and S=1 State in Solution

Banerjee, S., Rasheed, W., Fan, R., Draksharapu, A., Oloo, W. N., Guo, Y. & Que, L., Jul 22 2019, In : Chemistry - A European Journal. 25, 41, p. 9608-9613 6 p.

Research output: Contribution to journalArticle

4 Scopus citations

Letter from the Editor

Que, L., Dec 1 2019, In : Journal of Biological Inorganic Chemistry. 24, 8, 1 p.

Research output: Contribution to journalLetter

Open Access

Octahedral iron(iv)-tosylimido complexes exhibiting single electron-oxidation reactivity

Sabenya, G., Gamba, I., Gómez, L., Clémancey, M., Frisch, J. R., Klinker, E. J., Blondin, G., Torelli, S., Que, L., Martin-Diaconescu, V., Latour, J. M., Lloret-Fillol, J. & Costas, M., 2019, In : Chemical Science. 10, 41, p. 9513-9529 17 p.

Research output: Contribution to journalArticle

Open Access
2 Scopus citations

Facile Conversion of syn-[Fe IV (O)(TMC)] 2+ into the anti Isomer via Meunier's Oxo–Hydroxo Tautomerism Mechanism

Prakash, J., Sheng, Y., Draksharapu, A., Klein, J. E. M. N., Cramer, C. J. & Que, L., Feb 11 2019, In : Angewandte Chemie - International Edition. 58, 7, p. 1995-1999 5 p.

Research output: Contribution to journalArticle

Open Access
1 Scopus citations

Structural implications of the paramagnetically shifted NMR signals from pyridine H atoms on synthetic nonheme FeIV=O complexes

Rasheed, W., Fan, R., Abelson, C. S., Peterson, P. O., Ching, W. M., Guo, Y. & Que, L., Jun 1 2019, In : Journal of Biological Inorganic Chemistry. 24, 4, p. 533-545 13 p.

Research output: Contribution to journalArticle

2 Scopus citations
2018

Diiron monooxygenases in natural product biosynthesis

Komor, A. J., Jasniewski, A. J., Que, L. & Lipscomb, J. D., Jul 2018, In : Natural Product Reports. 35, 7, p. 646-659 14 p.

Research output: Contribution to journalReview article

Open Access
10 Scopus citations
2017

Hydrogen-Atom Transfer Oxidation with H2O2 Catalyzed by [FeII(1,2-bis(2,2′-bipyridyl-6-yl)ethane(H2O)2]2+: Likely Involvement of a (μ-Hydroxo)(μ-1,2-peroxo)diiron(III) Intermediate

Khenkin, A. M., Vedichi, M., Shimon, L. J. W., Cranswick, M. A., Klein, J. E. M. N., Que, L. & Neumann, R., Nov 2017, In : Israel Journal of Chemistry. 57, 10, p. 990-998 9 p.

Research output: Contribution to journalArticle

Open Access

Assessment of electronic structure methods for the determination of the ground spin states of Fe(II), Fe(III) and Fe(IV) complexes

Verma, P., Varga, Z., Klein, J. E. M. N., Cramer, C., Que, L. & Truhlar, D. G., Jan 1 2017, In : Physical Chemistry Chemical Physics. 19, 20, p. 13049-13069 21 p.

Research output: Contribution to journalArticle

45 Scopus citations
2018

Acid-Triggered O−O Bond Heterolysis of a Nonheme FeIII(OOH) Species for the Stereospecific Hydroxylation of Strong C−H Bonds

Serrano-Plana, J., Acuña-Parés, F., Dantignana, V., Oloo, W. N., Castillo, E., Draksharapu, A., Whiteoak, C. J., Martin-Diaconescu, V., Basallote, M. G., Luis, J. M., Que, L., Costas, M. & Company, A., Apr 6 2018, In : Chemistry - A European Journal. 24, 20, p. 5331-5340 10 p.

Research output: Contribution to journalArticle

Open Access
16 Scopus citations

Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant

Rasheed, W., Draksharapu, A., Banerjee, S., Young, V. G., Fan, R., Guo, Y., Ozerov, M., Nehrkorn, J., Krzystek, J., Telser, J. & Que, L., Jul 20 2018, In : Angewandte Chemie - International Edition. 57, 30, p. 9387-9391 5 p.

Research output: Contribution to journalArticle

19 Scopus citations

Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes

Jasniewski, A. J. & Que, L., Mar 14 2018, In : Chemical Reviews. 118, 5, p. 2554-2592 39 p.

Research output: Contribution to journalArticle

Open Access
95 Scopus citations

On the Lewis Acidity of the Oxoiron(IV) Unit in a Tetramethylcyclam Complex

Klein, J. E. M. N., Draksharapu, A., Shokri, A., Cramer, C. & Que, L., Apr 6 2018, In : Chemistry - A European Journal. 24, 20, p. 5373-5378 6 p.

Research output: Contribution to journalArticle

4 Scopus citations
2017
Open Access
23 Scopus citations
2018

Mimicking Class I b Mn2-Ribonucleotide Reductase: A MnII2 Complex and Its Reaction with Superoxide

Magherusan, A. M., Zhou, A., Farquhar, E. R., García-Melchor, M., Twamley, B., Que, L. & McDonald, A. R., Jan 22 2018, In : Angewandte Chemie - International Edition. 57, 4, p. 918-922 5 p.

Research output: Contribution to journalArticle

Open Access
9 Scopus citations