Publications

2025

50) Hebert, D. D., Ye, D., Garcia-Bosch, I. Oxidation of C–H and O–H bonds by a copper complex inspired by the Cu(II)–tyrosyl species formed in LPMOs. Chem. Sci., 2025, 16, 22473-22480. DOI: 10.1021/acs.inorgchem.5c02720

49) Sarma, R., Wu, T., Ye, D., Qiu, L. Y., Park, S., Cohen, E., Xiong, J., Siegler, A. M., Guo, Y., Garcia-Bosch, I. Stepwise 6H+/6e– Electron-Coupled Proton Buffers Based on Fe and Redox-Active Ligands. Inorg. Chem., 2025. DOI: 10.1021/acs.inorgchem.5c02720

48) Goswami, S., Garcia-Bosch, I. Recent Advances in Bioinspired Cu-Directed C–H Hydroxylation Reactions. Acc. Chem. Res., 2025. DOI: 10.1021/acs.accounts.5c00476

47) Hebert, D. D.; Puri, A.; Ye, D.; McAninch, A.; Chisholm, A.; Siegler, M. A.; Swart, M.; Garcia-Bosch, I. Synthesis and Characterization of Copper Complexes Featuring a Redox-Active ONO Ligand in Three Molecular Oxidation States. Inorg. Chem., 2025. DOI: 10.1021/acs.inorgchem.4c03370

46) Swart, M., Garcia-Bosch, I. Characterization of Three Intermediates in an Unusual Copper-Dependent Enzyme. ACS Cent. Sci. 2025. DOI: 10.1021/acscentsci.5c00732

44) Goswami, S.; Karan, G.; Yin, X..; Swart, M.; Garcia-Bosch, I. Cu-Promoted ipso-Hydroxylation of sp2 Bonds with Concomitant Aromatic 1,2-Rearrangement Involving a Cu-oxyl-hydroxo Species. Inorg. Chem., 2024, 63, 43, 20675–20688. DOI: 10.1021/acs.inorgchem.4c03304

2024

45) Ye, D.; Wu, T.; Puri, A.; Hebert, D. D.; Siegler, M. A.; Hendrich, M. P.; Swart, M.; Garcia-Bosch, I. Enhanced Proton-Coupled Electron-Transfer Reactivity by a Mononuclear Nickel(II) Hydroxide Radical Complex. Inorg. Chem., 2024, 63, 52, 24453–24465. DOI: 10.1021/acs.inorgchem.4c03370

43) Wu, T.; Puri, A.; Yi Lin Qiu; Ye, D.; Sarma, R.; Wang, Y.; Kowalewski, T.; Siegler, M. A.; Swart, M.; Garcia-Bosch, I. Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H+/4e– Electron-Coupled-Proton Buffers. Inorg. Chem., 2024, 63, 20, 9014–9025. DOI: 10.1021/acs.inorgchem.4c00835.

42) Zhang, S.; Goswami, S.; Schulz, K. H. G.; Gill, K.; Yin, X.; Hwang, J.; Wiese, J.; Jaffer, I.; Gil, R. R.; Garcia-Bosch, I. Regioselective Hydroxylation of Unsymmetrical Ketones Using Cu, H2O2, and Imine Directing Groups via Formation of an Electrophilic Cupric Hydroperoxide Core. J. Org. Chem. 2024, 89, 4, 2622–2636. DOI: 10.1021/acs.joc.3c02647

41) Sagar, K.; Kim, M.; Wu, T.; Zhang, S.; Bominaar, E.; Siegler, M.; Hendrich, M.; Garcia-Bosch, I. Mimicking the Reactivity of LPMOs with a Mononuclear Cu Complex. Eur. J. Inorg. Chem., 2024, 27. DOI: 10.1002/ejic.202300774.

2023

40) Puri, A.; McAninch, A.; Shu, S.; Khashayar Rajabimoghadam; Siegler, M. A.; Swart, M.; Garcia‐Bosch, I. Geometric Control of Cu, Ni and Pd Complexes in the Solid State via Intramolecular H-Bonding Interactions. Inorganica Chimica Acta, 2023, 561, 121844–121844. DOI: 10.1016/j.ica.2023.121844.

2022

39) Book Chapter: Wu, T., Hebert, D. Puri, A., & Garcia-Bosch, I. (2022). C-H Functionalization Reactions Promoted by First-Row Transition Metals with Redox-Active Ligands. Nature Did it First. Handbook of CH-Functionalization. DOI: 10.1002/9783527834242.chf0198

38) Wu, T., Rajabimoghadam, K., Puri, A., Hebert, D. D., Qiu, Y. L., Eichelberger, S.,Siegler, M. A., Swart, M., & Garcia-Bosch, I. A 4H+/4e–Electron-Coupled-Proton Buffer Based on a Mononuclear Cu Complex. J. Am. Chem. Soc., 2022, 144, 37, 16905–169152022, DOI: 10.1021/jacs.2c05454

2021

37) Zhang, S., Trammell, R., Cordova, A., Siegler, M. A., & Garcia-Bosch, I. Cu-promoted intramolecular hydroxylation of CH bonds using directing groups with varying denticity. Journal of Inorganic Biochemistry, 2021, 223, 111557. DOI: 10.1016/j.jinorgbio.2021.111557

36) Trammell, Rachel, and Isaac Garcia-Bosch. “Synthetic Copper Complexes as Cu-Dependent Monooxygenase Model Systems and Catalysts for Dioxygen Reduction and Water Oxidation.” (2021). DOI: 10.1016/B978-0-08-102688-5.00098-2

35) Wu, Tong, et al. “Mononuclear and Dinuclear Copper Complexes of Tridentate Redox-active Ligands with Tunable H-bonding Donors: Structure, Spectroscopy and H+/e-Reactivity.” Chemistry, an Asian journal, 2021, 16(12), 1608-1618. DOI:10.1002/asia.202100286

2020

34) Wu, T.; MacMillan, S. N.; Rajabimoghadam, K.; Siegler, M. A.; Lancaster, K. M.*; and Garcia-Bosch, I.* “Structure, spectroscopy and reactivity of a mononuclear copper hydroxide complex in three molecular oxidation states”. J. Am. Chem. Soc., 2020, 142, 12265-12276. DOI:10.1021/jacs.0c03867

2019

33) Rajabimoghadam, K.; Darwish Y.; Bashir U.; Pitman, D.; Eichelberger S.; Siegler, M. A.; Swart, M., and Garcia- Bosch, I*. “Tunable intramolecular multicenter H-bonding interactions in first-row metal complexes bearing bidentate redox-active ligands”. J. Coord. Chem. 2019, 1335. DOI:10.1080/00958972.2019.1624728

32) Trammell, R.; D’Amore, L; Cordova, A.; Polunin P.; Xie, N.; Siegler, M. A.; Belanzoni, P.; Marcel Swart, M.*; and Garcia-Bosch, I.* “Copper-Directed Hydroxylation of sp2 and sp3 C-H Bonds”. Inorg. Chem. 2019, 58, 7584.DOI: 10.1021/acs.inorgchem.9b00901

31) Trammell, R.; Rajabimoghadam, K.; and Garcia-Bosch, I.* “Copper-Promoted Functionalization of Organic Molecules: from Biologically Relevant Cu/O2 Model Systems to Organometallic Transformations”. Chem. Rev., 2019, 119, 2954. DOI: 10.1021/acs.chemrev.8b00368

2018

30) Rajabimoghadam, K.; Darwish Y.; Bashir U.; Pitman, D.; Eichelberger S.; Siegler, M. A.; Swart, M.*; and Garcia-Bosch, I.* “Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups”. J. Am. Chem. Soc., 2018, 140, 16625.DOI: 10.1021/jacs.8b08748

2017

29) Trammell, R.; See, Y. Y.; Herrmann, A. T.; Xie, N.; Díaz, D. E.; Siegler, M. A.; Baran, P. S.; Garcia-Bosch, I.* “Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp3 C–H Bonds”. J. Org. Chem. 2017, 82, 7887. DOI: 10.1021/acs.joc.7b01069

28) Garcia-Bosch, I.*, “Copper-Catalyzed Oxidation of Alkanes under Mild Conditions”. Synlett, 2017, 28, 1237. (Synpacts Article). DOI: 10.1055/s-0036-1590202

27) Garcia-Bosch, I.*, Cowley, R. E.; Díaz, D. E.: Peterson, R. L.: Solomon, E. I.*; and Karlin, K. D.* “Substrate and Lewis Acid Coordination Promote O–O Bond Cleavage of an Unreactive L2CuII2(O22–) Species to Form L2CuIII2(O)2 Cores with Enhanced Oxidative Reactivity.” J. Am. Chem. Soc., 2017, 139, 3186. Note: I.G.-B. affiliated with SMU. DOI: 10.1021/jacs.6b12990

26) Adam, S. M.; Garcia-Bosch, I., Schaefer A. W.; Sharma, S. K.; Siegler, M. A., Solomon, E. I.*; and Karlin, K. D.* “Critical Aspects of Heme–Peroxo–Cu Complex Structure and Nature of Proton Source Dictate Metal–Operoxo Breakage versus Reductive O–O Cleavage Chemistry.” J. Am. Chem. Soc., 2017, 139, 472. Note: I.G.-B. affiliated with SMU. DOI: 10.1021/jacs.6b11322

2016

25) Garcia-Bosch, I.*; Siegler, M. A. “Copper-Catalyzed Oxidation of Alkanes with H2O2 under a Fenton-like Regime”. Angew. Chem. Int. Ed., 2016, 55, 12873. DOI: 10.1002/anie.201607216

24) Garcia-Bosch, I.; Cowley, R. E.; Díaz, D. E.; Siegler, M. A.; Nam, W.; Solomon, E. I. and Karlin, K.D. “Dioxygen Activation by a Macrocyclic Copper Complex Leads to a Cu2O2 Core with Unexpected Structure and Reactivity”. Chem. Eur. J., 2016, 22, 5133. DOI: 10.1002/chem.201600551

2015

23) Hematian, S.; Garcia-Bosch, I.; and Karlin, K. D. “Synthetic Heme/Copper Assemblies: Toward an Understanding of Cytochrome c Oxidase Interactions with Dioxygen and Nitrogen Oxides” Acc. Chem. Res., 2015, 48, 2462. DOI: 10.1021/acs.accounts.5b00265 Special issue “Synthesis in Biological Inorganic Chemistry”.

22) Serrano-Plana, J.; Garcia-Bosch, I.; Company, A.; and Costas, M. “Structural and Reactivity Models for Copper Oxygenases: Cooperative Effects and Novel Reactivities”. Acc. Chem. Res., 2015, 48, 2397. DOI: 10.1021/acs.accounts.5b00187. Special issue “Synthesis in Biological Inorganic Chemistry”.

44) Petrillo, A., Kirchgeßner-Prado, F. K., Hiller, D., Eisenlohr, A. K., Rubin, G., Würtele, C., Goldberg, R., Schatz, D., Holthausen. C. M., Garcia-Bosch, I., Schindler, S. Expanding the Clip-and-Cleave Concept: Approaching Enantioselective C–H Hydroxylations by Copper Imine Complexes Using O2 and H2O2 as Oxidants. J. Am. Chem. Soc. 2024. DOI: 10.1021/jacs.4c07777

  • 21) Garcia-Bosch, I.; Adam, S. M.; Schaefer, A. W.; Sharma, S. K.; Peterson, R. L.; Solomon, E. I.; Karlin, K. D. ‘A “Naked” FeIII-(O22–)-CuII Species Allows for Structural and Spectroscopic Tuning of Low-Spin Heme-Peroxo-Cu Complexes’ J. Am. Chem. Soc. 2015, 137, 1032. DOI: 10.1021/ja5115198

    20) Serrano-Plana, J.; Garcia-Bosch, I.; Miyake, R.; Costas, M. and Company, A. “Selective Ortho-Hydroxylation–Defluorination of 2-Fluorophenolates with a Bis(μ-oxo)dicopper(III) Species”. Angew. Chem. Int. Ed., 2014, 53, 9608. DOI: 10.1002/anie.201405060

    19) Lee, J. Y.; Peterson, R. L.; Ohkubo, K.; Garcia-Bosch, I.; Himes, R. A.; Woertink, J.; Moore, C. D.; Solomon, E. I.; Fukuzumi, S.; and Karlin, K. D. “Mechanistic Insights into the Oxidation of Substituted Phenols via Hydrogen Atom Abstraction by a Cupric-Superoxo Complex”. J. Am. Chem. Soc., 2014, 136, 9925. DOI: 10.1021/ja503105b

    18) Lentini S.; Galloni, P.; Garcia-Bosch, I.; Costas, M.; and Conte, V. “Ionic liquids as reaction media in catalytic oxidations with manganese and iron pyridyl triazacyclononane complexes”. Inorg. Chim. Acta, 2014, 410, 60. DOI: 10.1016/j.ica.2013.10.016

    17) Cussó, O.; Garcia-Bosch, I.; Font, D.; Ribas, X.; Lloret-Fillol, J.; and Costas, M. “Highly Stereoselective Epoxidation with H2O2 Catalyzed by Electron-Rich Aminopyridine Manganese Catalysts” Org. Lett., 2013, 15, 6158. DOI: 10.1021/ol403018x

    16) Garcia-Bosch, I.; Sharma, S. K.; and Karlin, K. D. “A Selective Stepwise Heme Oxygenase Model System: An Iron(IV)-Oxo Porphyrin π‑Cation Radical Leads to a Verdoheme-Type Compound via an Isoporphyrin Intermediate”. J. Am. Chem. Soc., 2013, 135, 16248. DOI: 10.1021/ja405739m

    15) Cussó, O.; Garcia-Bosch, I.; Ribas, X.; Lloret-Fillol, J.; and Costas, M. “Asymmetric Epoxidation with H2O2 by Manipulating the Electronic Properties of Non-heme Iron Catalysts”. J. Am. Chem. Soc., 2013, 135, 14871-14878. DOI: 10.1021/ja4078446

    14) Codolà, Z.; Garcia-Bosch, I.; Acuña-Parés, F.; Prat, I.; Luis, J. M.; Costas, M. and Lloret-Fillol, J. “Electronic Effects on Single-Site Iron Catalysts for Water Oxidation”. Chem. Eur. J., 2013, 19, 8042. DOI: 10.1002/chem.201301112

    13) García-Simón, C.; Garcia-Borràs, M.; Gómez, L.; Garcia-Bosch, I.; Osuna, S.; Swart, M.; Luis, J. M.; Rovira, C.; Almeida, M.; Imaz, I.; Maspoch, D.; Costas, M.; and Ribas, X. “Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests”. Chem. Eur. J., 2013, 19, 1445. DOI: 10.1002/chem.201203376

    12) Garcia-Bosch I.; Codolà Z.; Prat I.; Ribas X.; Lloret-Fillol J.; and Costas M. “Iron-Catalyzed C-H Hydroxylation and Olefin cis-Dihydroxylation Using a Single-Electron Oxidant and Water as the Oxygen-Atom Source.” Chem. Eur. J., 2012, 18, 13269. DOI: 10.1002/chem.201202147

    11) Garcia-Bosch, I., Ribas, X. and Costas, M. “Electrophilic Arene Hydroxylation and Phenol O-H Oxidations Performed by an Unsymmetric μ-η1:η1-O2-Peroxo-Dicopper(II) Complex.” Chem. Eur. J., 2012, 18, 2113. DOI: 10.1002/chem.201102372

    10) Garcia-Bosch, I.; Gómez, L.; Polo, A.; Ribas, X. and Costas, M. “Stereoselective Epoxidation of Alkenes with H2O2 Using Bipyrrolidine-Based Family of Manganese Complexes”. Adv. Synth. Catal., 2012, 354, 65. DOI: 10.1002/adsc.201100409

    9) Garcia-Bosch I.; Ribas X.; and Costas M. “Well-Defined Heterometallic and Unsymmetric M2O2 Complexes Arising from Binding and Activation of O2” Eur. J. Inorg. Chem., 2012, 179. DOI: 10.1002/ejic.201100957

  • 8) Lloret, F.; Codolà, Z.; Garcia-Bosch, I.; Gómez, L.; Pla, J. and Costas, M. “Efficient Water Oxidation Catalyst Based on Readily Available Iron Coordination Complexes”. Nat. Chem.2011, 3, 807. DOI: 10.1038/nchem.1140

    7) Garcia-Bosch, I.; Company, A.; Cady, C. W.; Styring, S.; Browne, W. R.; Ribas, X.; Costas, M. “Evidence for a Precursor Complex in C-H Hydrogen Atom Transfer Reactions Mediated by a Manganese(IV) Oxo Complex”. Angew. Chem. Int. Ed., 2011, 50, 5648. DOI: 10.1002/anie.201100907

    6) Garcia-Bosch, I.; Company, A.; Frisch, J. R.; Cardellach, M; Solà, M.; Gamba, I.; Casella, L.; Que, L. Jr.; Ribas, X. Luis, J. M. and Costas, M. “O2 Activation and Selective Phenolate ortho-Hydroxylation by an Asymmetric Dicopper μ-η1:η1-peroxido Complex”. Angew. Chem. Int. Ed., 2010, 49, 2406. DOI: 10.1002/anie.200906749

    5) Gomez, L.; Garcia-Bosch, I.; Company, A.; Benet-Buchholz, J.; Polo, A.; Sala, X.; Ribas, X.; Costas, M. “Stereospecific C-H Oxidation with H2O2 Catalyzed by a Chemically Robust Site Isolated Iron Catalyst”. Angew. Chem. Int. Ed., 2009, 48, 5720. DOI: 10.1002/anie.200901865

    4) Garcia-Bosch, I.; Ribas, X. and Costas, M. “A Broad Substrate-Scope Method for Fast, Efficient and Selective H2O2-Epoxidation”. Adv. Synth. Catal., 2009, 351, 348. DOI: 10.1002/adsc.200800650

    3) Garcia-Bosch, I.; Company, A.; Fontrodona, X.; Ribas, X. and Costas, M. “Efficient and Selective Peracetic Acid Epoxidation Catalyzed by a Robust Manganese Complex”. Org. Lett., 2008, 10, 2095. DOI: 10.1021/ol800329m

    2) Company, A.; Palavicini, S.; Garcia-Bosch, I.; Mas-Ballesté, R.; Que, L. Jr.; Rybak-Akimova, E. V.; Casella, L.; Ribas, X. and Costas, M. “Tyrosinase-Like Reactivity in a CuIII2(μ-O)2 Species”. Chem. Eur. J.; 2008, 14, 3535. DOI: 10.1002/chem.200800229

  • 1) Gómez, L., Garcia-Bosch, I.; Company, A.; Sala, X.; Fontrodona, X.; Ribas, X.; and Costas, M. “Chiral manganese complexes with pinene appended tetradentate ligands as stereoseletive epoxidation catalysts”. Dalton Trans., 2007, 5539. DOI: 10.1039/B712754E

  • B) Garcia-Bosch, I.; Karlin, K. In The Chemistry of Peroxides; Liebman, A. G. a. J. F., Ed.; John Wiley & Sons, Ltd: Chichester, UK, 2014; Vol. 3, 805. DOI: 10.1002/9780470682531.pat0863

    A) Garcia-Bosch I.; Prat, I.; Ribas, X.; and Costas, M. “Bioinspired Oxidations Catalyzed by Nonheme Iron and Manganese Complexes”. In Innovative Catalysis in Organic Synthesis: Oxidation, Hydrogenation, and C-X Bond Forming Reactions. Ed. by Pher G. Andersson. Wiley-VCH Verlag GmbH&Co. KGaA. 2012, 27. DOI: 10.1002/9783527646586.ch2

  • iii) Company, A.; Font, D.; Prat, I.; Gómez, L.; Ribas, X.; Garcia-Bosch, I.; Costas, M.; Lloret-Fillol, J.; and Cussó, O. Title: “Catalysts for the epoxidation of alkenes”. Spain Application Nº ES 2012-31746. Date of priority: 13th November 2012.

    ii) Codolà, Z.; Gómez, L.; Garcia-Bosch, I.; Pla Aicart, J. J.; Lloret, J.; and Costas, M. Title: “Procedure for the catalytic oxidation of water with iron catalysts”. Spain Application Nº ES 2011-31147. Date of priority: 6th July 2011.

    i) Costas, M.; Ribas, X.; Garcia-Bosch, I.; Company, A.; and Gómez, L. Title: ”Manganese catalysts and their use for the selective epoxidation of olefins”. Spain. Nº ES 2008-1081. Date: 10th April 2008.