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  • Larry Que
2017

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

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

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
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

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

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
2016

HFEPR and Computational Studies on the Electronic Structure of a High-Spin Oxidoiron(IV) Complex in Solution

Bucinsky, L., Rohde, G. T., Que, L., Ozarowski, A., Krzystek, J., Breza, M. & Telser, J., May 2 2016, In : Inorganic Chemistry. 55, 8, p. 3933-3945 13 p.

Research output: Contribution to journalArticle

5 Scopus citations
2017
63 Scopus citations
2016

Nuclear Resonance Vibrational Spectroscopic Definition of Peroxy Intermediates in Nonheme Iron Sites

Sutherlin, K. D., Liu, L. V., Lee, Y. M., Kwak, Y., Yoda, Y., Saito, M., Kurokuzu, M., Kobayashi, Y., Seto, M., Que, L., Nam, W. & Solomon, E. I., Nov 2 2016, In : Journal of the American Chemical Society. 138, 43, p. 14294-14302 9 p.

Research output: Contribution to journalArticle

Open Access
3 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
2016

Spectroscopic and Theoretical Study of Spin-Dependent Electron Transfer in an Iron(III) Superoxo Complex

Stout, H. D., Kleespies, S. T., Chiang, C. W., Lee, W. Z., Que, L., Münck, E. & Bominaar, E. L., Jun 6 2016, In : Inorganic Chemistry. 55, 11, p. 5215-5226 12 p.

Research output: Contribution to journalArticle

7 Scopus citations

Why metal-oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C-H bond strengths. A computational study

Klein, J. E. M. N., Dereli, B., Que, L. & Cramer, C., Jan 1 2016, In : Chemical Communications. 52, 69, p. 10509-10512 4 p.

Research output: Contribution to journalArticle

Open Access
11 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
2016

Modeling Non-Heme Iron Halogenases: High-Spin Oxoiron(IV)-Halide Complexes That Halogenate C-H Bonds

Puri, M., Biswas, A. N., Fan, R., Guo, Y. & Que, L., Mar 2 2016, In : Journal of the American Chemical Society. 138, 8, p. 2484-2487 4 p.

Research output: Contribution to journalArticle

33 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
2016

Oxygen atom exchange between H2O and non-heme oxoiron(IV) complexes: Ligand dependence and mechanism

Puri, M., Company, A., Sabenya, G., Costas, M. & Que, L., Jun 20 2016, In : Inorganic Chemistry. 55, 12, p. 5818-5827 10 p.

Research output: Contribution to journalArticle

22 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
2016

A Carboxylate Shift Regulates Dioxygen Activation by the Diiron Nonheme β-Hydroxylase CmlA upon Binding of a Substrate-Loaded Nonribosomal Peptide Synthetase

Jasniewski, A. J., Knoot, C., Lipscomb, J. D. & Que, L., Oct 18 2016, In : Biochemistry. 55, 41, p. 5818-5831 14 p.

Research output: Contribution to journalArticle

Open Access
5 Scopus citations

Celebrating Ed Solomon

Karlin, K. & Que, L., Sep 1 2016, In : Journal of Biological Inorganic Chemistry. 21, 5-6, p. 571-574 4 p.

Research output: Contribution to journalEditorial

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
2019

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

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
2017

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
Open Access
23 Scopus citations
2019

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
2016

X-ray absorption spectroscopic characterization of the diferric-peroxo intermediate of human deoxyhypusine hydroxylase in the presence of its substrate eIF5a

Jasniewski, A. J., Engstrom, L. M., Vu, V. V., Park, M. H. & Que, L., Sep 1 2016, In : Journal of Biological Inorganic Chemistry. 21, 5-6, p. 605-618 14 p.

Research output: Contribution to journalArticle

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
2019

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
2016

Mechanism for Six-Electron Aryl-N-Oxygenation by the Non-Heme Diiron Enzyme CmlI

Komor, A. J., Rivard, B. S., Fan, R., Guo, Y., Que, L. & Lipscomb, J. D., Jun 15 2016, In : Journal of the American Chemical Society. 138, 23, p. 7411-7421 11 p.

Research output: Contribution to journalArticle

Open Access
18 Scopus citations
3 Scopus citations