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  • Larry Que
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
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
2014

Characterization of a paramagnetic mononuclear nonheme iron-superoxo complex

Chiang, C. W., Kleespies, S. T., Stout, H. D., Meier, K. K., Li, P. Y., Bominaar, E. L., Que, L., Münck, E. & Lee, W. Z., Aug 6 2014, In : Journal of the American Chemical Society. 136, 31, p. 10846-10849 4 p.

Research output: Contribution to journalArticle

60 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
2015

Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework

Schreiber, R. E., Cohen, H., Leitus, G., Wolf, S. G., Zhou, A., Que, L. & Neumann, R., Jul 15 2015, In : Journal of the American Chemical Society. 137, 27, p. 8738-8748 11 p.

Research output: Contribution to journalArticle

19 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
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
2015

Spectroscopic Identification of an FeIII Center, not FeIV, in the Crystalline Sc-O-Fe Adduct Derived from [FeIV(O)(TMC)]2+

Prakash, J., Rohde, G. T., Meier, K. K., Jasniewski, A. J., Van Heuvelen, K. M., Münck, E. & Que, L., Mar 18 2015, In : Journal of the American Chemical Society. 137, 10, p. 3478-3481 4 p.

Research output: Contribution to journalArticle

30 Scopus citations
2011

Characterization of a high-spin non-heme FeIII-OOH intermediate and its quantitative conversion to an FeIV=O complex

Li, F., Meier, K. K., Cranswick, M. A., Chakrabarti, M., Van Heuvelen, K. M., Münck, E. & Que, L., May 18 2011, In : Journal of the American Chemical Society. 133, 19, p. 7256-7259 4 p.

Research output: Contribution to journalArticle

80 Scopus citations
2013

High-valent nonheme iron-oxo complexes: Synthesis, structure, and spectroscopy

McDonald, A. R. & Que, L., Jan 5 2013, In : Coordination Chemistry Reviews. 257, 2, p. 414-428 15 p.

Research output: Contribution to journalReview article

296 Scopus citations
2011

Active-site structure of a β-hydroxylase in antibiotic biosynthesis

Vu, V. V., Makris, T. M., Lipscomb, J. D. & Que, L., May 11 2011, In : Journal of the American Chemical Society. 133, 18, p. 6938-6941 4 p.

Research output: Contribution to journalArticle

14 Scopus citations
2013

Oxidation of water by a nonhaem diiron(iv) complex via proton-coupled electron transfer

Wang, D. & Que, L., Oct 22 2013, In : Chemical Communications. 49, 91, p. 10682-10684 3 p.

Research output: Contribution to journalArticle

18 Scopus citations
2015

Evidence for an oxygen evolving iron-oxo-cerium intermediate in iron-catalysed water oxidation

Codolà, Z., Gómez, L., Kleespies, S. T., Que, L., Costas, M. & Lloret-Fillol, J., Jan 22 2015, In : Nature communications. 6, 5865.

Research output: Contribution to journalArticle

71 Scopus citations

Oxoiron(IV) Complex of the Ethylene-Bridged Dialkylcyclam Ligand Me2EBC

England, J., Prakash, J., Cranswick, M. A., Mandal, D., Guo, Y., Münck, E., Shaik, S. & Que, L., Aug 17 2015, In : Inorganic Chemistry. 54, 16, p. 7828-7839 12 p.

Research output: Contribution to journalArticle

14 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
2013

Factors affecting the carboxylate shift upon formation of nonheme diiron-O2 adducts

Frisch, J. R., McDonnell, R., Rybak-Akimova, E. V. & Que, L., Mar 11 2013, In : Inorganic chemistry. 52, 5, p. 2627-2636 10 p.

Research output: Contribution to journalArticle

10 Scopus citations
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
2012

Editorial overview

Armstrong, F. & Que, L., Apr 1 2012, In : Current Opinion in Chemical Biology. 16, 1-2, p. 1-2 2 p.

Research output: Contribution to journalEditorial

2011

Nuclear resonance vibrational spectroscopy on the FeIV=O S=2 non-heme site in TMG3tren: Experimentally calibrated insights into reactivity

Wong, S. D., Bell, C. B., Liu, L. V., Kwak, Y., England, J., Alp, E. E., Zhao, J., Que, L. & Solomon, E. I., Mar 28 2011, In : Angewandte Chemie - International Edition. 50, 14, p. 3215-3218 4 p.

Research output: Contribution to journalArticle

49 Scopus citations
2013

Sc3+-triggered oxoiron(IV) formation from O2 and its non-heme iron(II) precursor via a Sc3+-peroxo-Fe3+ intermediate

Li, F., Van Heuvelen, K. M., Meier, K. K., Münck, E. & Que, L., Jul 17 2013, In : Journal of the American Chemical Society. 135, 28, p. 10198-10201 4 p.

Research output: Contribution to journalArticle

73 Scopus citations
2017
63 Scopus citations
2011

Iron-catalyzed olefin epoxidation and Cis-dihydroxylation by tetraalkylcyclam complexes: The importance of Cis-labile sites

Feng, Y., England, J. & Que, L., Sep 2 2011, In : ACS Catalysis. 1, 9, p. 1035-1042 8 p.

Research output: Contribution to journalArticle

55 Scopus citations

A more reactive trigonal-bipyramidal high-spin oxoiron(IV) complex with a cis-labile site

England, J., Guo, Y., Van Heuvelen, K. M., Cranswick, M. A., Rohde, G. T., Bominaar, E. L., Münck, E. & Que, L., Aug 10 2011, In : Journal of the American Chemical Society. 133, 31, p. 11880-11883 4 p.

Research output: Contribution to journalArticle

78 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
2012

π-Frontier molecular orbitals in S = 2 ferryl species and elucidation of their contributions to reactivity

Srnec, M., Wong, S. D., England, J., Que, L. & Solomon, E. I., Sep 4 2012, In : Proceedings of the National Academy of Sciences of the United States of America. 109, 36, p. 14326-14331 6 p.

Research output: Contribution to journalArticle

54 Scopus citations
2013

The mechanism of stereospecific C-H oxidation by Fe(Pytacn) complexes: Bioinspired non-heme iron catalysts containing cis-labile exchangeable sites

Prat, I., Company, A., Postils, V., Ribas, X., Que, L., Luis, J. M. & Costas, M., May 17 2013, In : Chemistry - A European Journal. 19, 21, p. 6724-6738 15 p.

Research output: Contribution to journalArticle

63 Scopus citations

Cyclohexene as a substrate probe for the nature of the high-valent iron-oxo oxidant in Fe(TPA)-catalyzed oxidations

Oloo, W. N., Feng, Y., Iyer, S., Parmelee, S., Xue, G. & Que, L., Nov 1 2013, In : New Journal of Chemistry. 37, 11, p. 3411-3415 5 p.

Research output: Contribution to journalArticle

22 Scopus citations
2016

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
2012

Intramolecular gas-phase reactions of synthetic nonheme oxoiron(IV) ions: Proximity and spin-state reactivity rules

Mas-Ballesté, R., McDonald, A. R., Reed, D., Usharani, D., Schyman, P., Milko, P., Shaik, S. & Que, L., Sep 10 2012, In : Chemistry - A European Journal. 18, 37, p. 11747-11760 14 p.

Research output: Contribution to journalArticle

13 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
2014

H2O2 activation with biomimetic non-haem iron complexes and AcOH: Connecting the g = 2.7 EPR signal with a visible chromophore

Makhlynets, O. V., Oloo, W. N., Moroz, Y. S., Belaya, I. G., Palluccio, T. D., Filatov, A. S., Müller, P., Cranswick, M. A., Que, L. & Rybak-Akimova, E. V., Jan 21 2014, In : Chemical Communications. 50, 6, p. 645-648 4 p.

Research output: Contribution to journalArticle

39 Scopus citations
2015

An unusual peroxo intermediate of the arylamine oxygenase of the chloramphenicol biosynthetic pathway

Makris, T. M., Vu, V. V., Meier, K. K., Komor, A. J., Rivard, B. S., Münck, E., Que, L. & Lipscomb, J. D., Feb 4 2015, In : Journal of the American Chemical Society. 137, 4, p. 1608-1617 10 p.

Research output: Contribution to journalArticle

36 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
2013

An iron(II)[1,3-bis(2'-pyridylimino)isoindoline] complex as a catalyst for substrate oxidation with H2O2 - Evidence for a transient peroxidodiiron(III) species

Pap, J. S., Cranswick, M. A., Balogh-Hergovich, É., Baráth, G., Giorgi, M., Rohde, G. T., Kaizer, J., Speier, G. & Que, L., Oct 31 2013, In : European Journal of Inorganic Chemistry. 22-23, p. 3858-3866 9 p.

Research output: Contribution to journalArticle

28 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
2011

Substrate-triggered activation of a synthetic [Fe 2(μ-O) 2] diamond core for C-H bond cleavage

Xue, G., Pokutsa, A. & Que, L., Oct 19 2011, In : Journal of the American Chemical Society. 133, 41, p. 16657-16667 11 p.

Research output: Contribution to journalArticle

41 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
2015

Erratum: Evidence for an oxygen evolving iron-oxo-cerium intermediate in iron-catalysed water oxidation (Nature Communications (2015) 6 (5865) DOI: 10.1038/ncomms6865)

Codolà, Z., Gómez, L., Kleespies, S. T., Que, L., Costas, M. & Lloret-Fillol, J., Feb 2015, In : Nature communications. 6, 6405.

Research output: Contribution to journalComment/debate

4 Scopus citations
2012

1H-ENDOR evidence for a hydrogen-bonding interaction that modulates the reactivity of a nonheme Fe IV=O unit

Shanmugam, M., Xue, G., Que, L. & Hoffman, B. M., Oct 1 2012, In : Inorganic chemistry. 51, 19, p. 10080-10082 3 p.

Research output: Contribution to journalArticle

9 Scopus citations
2015

Caught! Crystal trapping of a side-on peroxo bound to Cr(IV)

De Sousa, D. P., Bigelow, J. O., Sundberg, J., Que, L. & McKenzie, C. J., Feb 18 2015, In : Chemical Communications. 51, 14, p. 2802-2805 4 p.

Research output: Contribution to journalArticle

13 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
2011

Oxidative decarboxylation of benzilic acid by a biomimetic iron(II) Complex: Evidence for an iron(IV)-oxo-hydroxo oxidant from O 2

Paria, S., Que, L. & Paine, T. K., Nov 18 2011, In : Angewandte Chemie - International Edition. 50, 47, p. 11129-11132 4 p.

Research output: Contribution to journalArticle

46 Scopus citations
2014

An ultra-stable oxoiron(iv) complex and its blue conjugate base

England, J., Bigelow, J. O., Van Heuvelen, K. M., Farquhar, E. R., Martinho, M., Meier, K. K., Frisch, J. R., Münck, E. & Que, L., Mar 2014, In : Chemical Science. 5, 3, p. 1204-1215 12 p.

Research output: Contribution to journalArticle

33 Scopus citations

Note from the SBIC President

Que, L., Aug 1 2014, In : Journal of Biological Inorganic Chemistry. 19, 6, 1 p.

Research output: Contribution to journalEditorial

2012

Characterization of an O 2 adduct of an active cobalt-substituted extradiol-cleaving catechol dioxygenase

Fielding, A. J., Lipscomb, J. D. & Que, L., Jan 18 2012, In : Journal of the American Chemical Society. 134, 2, p. 796-799 4 p.

Research output: Contribution to journalArticle

32 Scopus citations

One-electron oxidation of an oxoiron(IV) complex to form an [O=Fe V=NR]+ center

Van Heuvelen, K. M., Fiedler, A. T., Shan, X., De Hont, R. F., Meier, K. K., Bominaar, E. L., Mun̈ck, E. & Que, L., Jul 24 2012, In : Proceedings of the National Academy of Sciences of the United States of America. 109, 30, p. 11933-11938 6 p.

Research output: Contribution to journalArticle

62 Scopus citations
2013

Nuclear resonance vibrational spectroscopic and computational study of high-valent diiron complexes relevant to enzyme intermediates

Park, K., Bell, C. B., Liu, L. V., Wang, D., Xue, G., Kwak, Y., Wong, S. D., Light, K. M., Zhao, J., Alp, E. E., Yoda, Y., Saito, M., Kobayashi, Y., Ohta, T., Seto, M., Que, L. & Solomon, E. I., Apr 16 2013, In : Proceedings of the National Academy of Sciences of the United States of America. 110, 16, p. 6275-6280 6 p.

Research output: Contribution to journalArticle

10 Scopus citations