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Rauchfuss Group

Journal Articles (2014 - )

2023

Villarreal, D. G.; Rao, G.; Tao, L.; Liu, L.; Rauchfuss, T. B.; Britt, R. D. " Fully Characterizing the Biosynthesis of the [Fe(II)(CN)(CO)sub>2(cysteinate)]- Organometallic Product of the Radical-SAM Enzyme HydG by EPR and Mössbauer Spectroscopy" The Journal of Physical Chemistry B 2023 asap.

Rao, G.; Yu, X.; Rauchfuss, T. B.; Britt, R. D. " Fully Refined Semisynthesis of the [FeFe] Hydrogenase H-Cluster" Biochemistry 202362, 2868-2877.

Zhang, F.; Woods, T.; Rauchfuss, T. B. " Hybrids of [FeFe]- and [NiFe]-H2ase Active Site Models" Organometallics 202342, 1607-1614.

Zhang, Y.; Wang, P.;Xue, S.; Woods, T.;Guo,Y.; Zampella, G.; Rauchfuss, T. B.; Arrigoni, F." Synthesis, Spectroscopy, and Structure of [FeRu(μ-dithiolate)(CN)2(CO)4]2-Inorg. Chem. 202362, 16842–16853.

2022

Zhang, Y.; Woods, T. J.; Rauchfuss, T. B. "Synthesis and Dynamics of Ferrous Polychalcogenides [Fe(Ex)(CN)2(CO)2]2– (E = S, Se, or Te)" Inorg. Chem. 202261, 8241.

Zhang, F.; Tao, L.; Woods, T. J.; Britt, R. D.; Rauchfuss, T. B. "Organometallic Fe2(μ-SH)2(CO)4(CN)2 Cluster Allows the Biosynthesis of the [FeFe]-Hydrogenase with Only the HydF Maturase" J. Am. Chem. Soc. 2022, 144 1534.

2021

Zhang, Y.; Woods, T. J.; Rauchfuss, T. B. "Homoleptic Rhodium Pyridine Complexes for Catalytic Hydrogen Oxidation" J. Am. Chem. Soc.  2021, 143, 10065-10069.

Zhang, F.; Woods, T. J.; Rauchfuss, T. B.; Arrigoni, F.; Zampella, G. "CO Substitution by PPh3 in Fe2S2(CO)6 Proceeds via a Novel Fe2S Intermediate" Chem. Commun. 2021, 57, 5079 - 5081.

Rohac, R.; Martin, L.; Liu, L.; Basu, D.; Tao, L.; Britt, R. D.; Rauchfuss, T. B.; Nicolet, Y. Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B" J. Am. Chem. Soc.  2021, 143, 8499-8508.

Pelmenschikov, V.; Birrell, J. A.; Gee, L. B.; Richers, C. P.; Reijerse, E. J.; Wang, H.; Arragain, S.; Mishra, N.; Yoda, Y.; Matsuura, H.; Li, L.; Tamasaku, K.; Rauchfuss, T. B.; Lubitz, W.; Cramer, S. P. "Vibrational Perturbation of the [FeFe] Hydrogenase H-Cluster Revealed by 13C2H-ADT Labeling" J. Am. Chem. Soc. 2021, 143, 8237-8243.

Arrigoni, F.; Zampella, G.; Zhang, F.; Kagalwala, H. N.; Li, Q.-L.; Woods, T. J.; Rauchfuss, T. B. "Computational and Experimental Investigations of the Fe2(μ-S2)/Fe2(μ-S)2 Equilibrium" Inorg. Chem. 2021, 60, 3917-3926.

2020

Birrell, J. A.; Pelmenschikov, V.; Mishra, N.; Wang, H.; Yoda,Y.; DeBeer, S.; Tamasaku, K.; Rauchfuss, T. B.; Cramer, S. P.; Lubitz, W., "Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-bridged Intermediates",J. Am. Chem. Soc. 2020142, 222-232.

Tao, L.; Pattenaude, S. A.; Joshi, S.; Begley, T. P.; Rauchfuss, T. B.; Britt, R. D. "Radical SAM Enzyme HydE Generates Adenosylated Fe(I) Intermediates En Route to the [FeFe]-Hydrogenase Catalytic H-Cluster", J. Am. Chem. Soc. 2020142, 24, 10841-10848

Zhang, Y.; Woods, T. J.; Rauchfuss, T. B. Application of Hemilabile Ligands to “At-Metal Switching” Hydrogenation Catalysis" Organometallics 2020, 39, 3602-3612.

Liu, L.; Woods, T. J.; Rauchfuss, T. B. "Reactions of [Fe6C(CO)14(S)]2–: Cluster Growth, Redox, Sulfiding" Eur. J. Inorg. Chem. 2020, 2020, 3460-3465.

Bullock, R. M.; Chen, J. G.; Gagliardi, L.; Chirik, P. J.; Farha, O. K.; Hendon, C. H.; Jones, C. W.; Keith, J. A.; Klosin, J.; Minteer, S. D.; Morris, R. H.; Radosevich, A. T.; Rauchfuss, T. B.; Strotman, N. A.; Vojvodic, A.; Ward, T. R.; Yang, J. Y.; Surendranath, Y. "Using Nature’s Blueprint to Expand Catalysis with Earth-Abundant Metals" Science 2020, 369, eabc3183.

2019

Rao, G.; Pattenaude, S. A.; Alwan, K.; Blackburn, N. J.; Britt, R. D.; Rauchfuss, T. B., "The Binuclear Cluster of [FeFe] Hydrogenase is Formed with Sulfur Donated by Cysteine", Proc. Nat. Acad. Sci., USA2019116,  20850-20855.
https://doi.org/10.1073/pnas.1913324116

E. Reijerse, V. Pelmenschikov, M. Kaupp, J. Birrell, C. Richers,  T. B. Rauchfuss, S. P. Cramer, Stephen; W. Lubitz, "Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-Propanedithiolate Ligand", J. Phys. Chem. Lett. 201910, 6794-6799.
https://doi.org/10.1021/acs.jpclett.9b02354

Basu, D.; Bailey, T. S.; Lalaoui, N.; Richers, C. P.; Woods, T. J.; Rauchfuss, T. B.; Arrigoni, F.; Zampella, G., "Synthetic Designs and Structural Investigations of Biomimetic Ni–Fe Thiolates", Inorg. Chem. 201958, 2430-2443. https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b02991

Kagalwala, H. N.; Lalaoui, N.; Li, Q.-L.; Liu, L.; Woods, T.; Rauchfuss, T. B. Redox and "Antioxidant" Properties of Fe2(μ-SH)2(CO)4(PPh3)2Inorg. Chem. 201958, 2761-2769. https://pubs.acs.org/doi/10.1021/acs.inorgchem.8b03344

Liu, L.; Rauchfuss, T. B.; Woods, T. J. Iron Carbide–Sulfide Carbonyl Clusters. Inorg. Chem. 201958, 8271-8274. https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b01231

2018

Sommer, C.; Richers Casseday, P.; Lubitz, W.; Rauchfuss T. B.; Reijerse E. J., A [RuRu] Analogue of an [FeFe]‐Hydrogenase Traps the Key Hydride Intermediate of the Catalytic Cycle. Angew. Chem. Int. Ed. 201857, 5429-5432. https://pubs.acs.org/doi/10.1021/jacs.6b11409

Basu, D.; Woods, T. J.; Rauchfuss, T. B., Ni(II) complexes of the phosphine-oxime Ph2PC6H4-2-CH=NOH. Dalton Trans. 201847, 7256-7262. https://pubs.rsc.org/en/content/articlelanding/2018/dt/c8dt01551a#!divAbstract

Carlson, M. R.; Gray, D. L.; Richers, C. P.; Wang, W.; Zhao, P.-H.; Rauchfuss, T. B.; Pelmenschikov, V.; Pham, C. C.; Gee, L. B.; Wang, H.; Cramer, S. P., Sterically Stabilized Terminal Hydride of a Diiron Dithiolate. Inorg. Chem. 201857, 1988-2001. https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.7b02903

Li, Q.; Lalaoui, N.; Woods, T. J.; Rauchfuss, T. B.; Arrigoni, F.; Zampella, G., Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate. Inorg. Chem. 201857, 4409-4418. https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.8b00094

Basu, D.; Gilbert-Wilson, R.; Gray, D. L.; Rauchfuss, T. B.; Dash, A. K., Fe and Co Complexes of Rigidly Planar Phosphino-Quinoline-Pyridine Ligands for Catalytic Hydrosilylation and Dehydrogenative Silylation. Organometallics 201837, 2760-2768. https://pubs.acs.org/doi/pdf/10.1021/acs.organomet.8b00416

2017

Pelmenschikov, V.; Birrell, J. A.; Pham, C. C.; Mishra, N.; Wang, H.; Sommer, C.; Reijerse, E.; Richers, C. P.; Tamasaku, K.; Y., Y.; Rauchfuss, T. B.; Lubitz, W.; Cramer, S. P., Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by NRVS and DFT, J. Am. Chem. Soc. 2017139, 16894-16902. https://pubs.acs.org/doi/10.1021/jacs.7b09751

Carlson, M. R.; Gilbert-Wilson, R.; Gray, D. R.; Mitra, J.; Rauchfuss, T. B.; Richers, C. P., "Diiron Dithiolate Hydrides Complemented with Proton-Responsive Phosphine–Amine Ligands", Eur. J. Inorg. Chem. 2017, 3169-3173. DOI 10.1002/ejic.201700474

Lalaoui, N.; Woods, T.; Rauchfuss, T. B.; Zampella, G., "Characterization of a Borane σ Complex of a Diiron Dithiolate: Model for an Elusive Dihydrogen Adduct", Organometallics 2017, 36, 2054-2057. DOI 10.1021/acs.organomet.7b00236

Reijerse, E. J.; Pham, C. C.; Pelmenschikov, V.; Gilbert-Wilson, R.; Adamska-Venkatesh, A.; Siebel, J. F.; Gee, L. B.; Yoda, Y.; Tamasaku, K.; Lubitz, W.; Rauchfuss, T. B.; Cramer, S. P., "Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy", J. Am. Chem. Soc. 2017, 139, 4306-4309. DOI 10.1021/jacs.7b00686

Richers, C. P.; Bertke, J. A.; Rauchfuss, T. B., "Syntheses of transition metal methoxysiloxides", Dalton Trans. 2017, 46, 8756-8762. DOI 10.1039/C6DT04205H

Schilter, D.; Gray, D. L.; Fuller, A. L.; Rauchfuss, T. B., "Synthetic Models for Nickel–Iron Hydrogenase Featuring Redox-Active Ligands", Aust. J. Chem. 2017, 70, 505-515. DOI 10.1071/CH16614

Yu, X.; Tung, C.-H.; Wang, W.; Huynh, M. T.; Gray, D. L.; Hammes-Schiffer, S.; Rauchfuss, T. B., "Interplay between Terminal and Bridging Diiron Hydrides in Neutral and Oxidized States", Organometallics 2017, 36, 2245-2253. DOI 10.1021/acs.organomet.7b00297

2016

Chu, W.-Y.; Richers, C. P.; Kahle, E.; Rauchfuss, T. B., Arrigoni, F.; Zampella, G. "Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls", Organometallics201635, 2782-2792. DOI 10.1021/acs.organomet.6b00318

Chu, W.-Y.; Gilbert-Wilson, R.; Rauchfuss, T. B.; van Gastel, M.; Neese, F.
 "Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis", Organometallics201635, 2900-2914. DOI 10.1021/acs.organomet.6b00457

Zhao, P.; Gray, D. L.; Rauchfuss, T. B., "Rational Synthesis of the Diiron Perthiolato Carbonyl Fe2(S3CPh2)(CO)6 and Related Complexes", Eur. J. Inorg. Chem.2016, 2681–2683. DOI 10.1002/ejic.201600366.

Schilter, D.; Camara, J. M.; Huynh, M. T.; Hammes-Schiffer, S.; Rauchfuss, T. B., "Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides", Chemical Reviews2016116, 8693–8749. DOI 10.1021/acs.chemrev.6b00180

Ulloa, O. A.; Huynh, M. T.; Richers, C. P.; Bertke, J. A.; Nilges, M. J.; Hammes-Schiffer, S.; Rauchfuss, T. B. "Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides" J. Am. Chem. Soc., 2016138, 9234-9245. DOI 10.1021/jacs.6b04579

Li, Y.; Rauchfuss, T. B., "Synthesis of Diiron(I) Dithiolato Carbonyl Complexes", Chemical Reviews2016, 116, 7043–7077. DOI 10.1021/acs.chemrev.5b00669

Richers, C. P.; Burtke, J.; Rauchfuss, T. B., "Insights into the Hydrolytic Polymerization of Trimethoxy-methylsilane. Crystal Structure of (MeO)2MeSiONa", Inorg. Chem.201655, 5744–5746. DOI 10.1021/acs.inorgchem.6b00874

Chambers, G. M.; Rauchfuss, T. B.; Arrigoni, F.; Zampella, G., "Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2", Organometallics201635, 836-846. DOI 10.1021/acs.organomet.6b00068

Zhou, X.; Barton, B. E.; Chambers, G. M.; Rauchfuss, T. B.; Arrigoni, F.; Zampella, G., "Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6", Inorg. Chem.201655, 3401-3412. DOI 10.1021/acs.inorgchem.5b02789

Chambers, G. M.; Huynh, M.; Li, Y.; Hammes-Schiffer, S.; Rauchfuss, T. B.; Reijerse, E.; Lubitz, W., "Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site", Inorg. Chem.201655, 419-431. DOI 10.1021/acs.inorgchem.5b01662

2015

Mitra, J.; Zhou, X.; Rauchfuss, T. B., "Pd/C-Catalyzed Reactions of HMF: Decarbonylation, Hydrogenation, and Hydrogenolysis" Green Chemistry201517, 307-313.

Chu, W.-Y.; Zhou, X.; Rauchfuss, T. B., "Cooperative Metal-Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides", Organometallics, 201534, 1619-1626.

Ogata, H.; Krämer, T.; Wang, H.; Schilter, D.; Pelmenschikov, V.; van Gaste,  M. Neese, F.; Rauchfuss, T. B.; Gee, L. B.; Scott, A. D.; Yoda, Y.; Tanaka, Y.; Lubitz, W.; Cramer, S. P., "Hydride Bridge in [NiFe]-Hydrogenase Resolved by Nuclear Resonance Vibrational Spectroscopy", Nat. Commun,. 20156, 7890.

Gilbert-Wilson, R.; Siebel, J. F.; Pham, C. C.; Adamska-Venkatesh,  A.; Reijerse, E; Wang, H.; Cramer, S. P.; Lubitz, W.; Rauchfuss, T. B., "Spectroscopic Investigations of [FeFe] Hydrogenase Maturated with [57Fe2(adt)(CN)2(CO)4]2-", J. Am. Chem. Soc.2015137, 8998-9005. 

Rauchfuss, T. B., "Diiron Azadithiolates as Models for the [FeFe]-Hydrogenase Active Sites and Paradigm for the Role of the Second Coordination Sphere", Acct. Chem. Rsch. (Invited), 201548, 2107-2116.

Gilbert-Wilson, R.; Chu, W.-Y.; Rauchfuss, T. B., "Phosphine-Iminopyridines as Catalytic Platforms for Hydrofunctionalization of Alkenes", Inorg. Chem., 201554, 5596-5603.

Angamuthu, R.; Chen, C.-S.; Cochrane, T. R.; Gray, D. L.; Schilter, D.; Ulloa, O. A.; Rauchfuss, T. B., "N-Substituted Derivatives of the Azadithiolate Cofactor from the [FeFe]-Hydrogenases: Stability and Complexation", Inorg. Chem., 201554, 5717–5724.

2014

Schilter, D.; Pelmenschikov, V.; Hongxin Wang, H.; Meier, F.; Gee, L. B.;  Yoda, Y.; Kaupp, M. Rauchfuss, T. B.; Cramer, S. P. "Synthesis and Vibrational Spectroscopy of 57Fe-Labeled Models of [NiFe] Hydrogenase: First Direct Observation of a Nickel-Iron Interaction" Chem. Commun. 201450, 13469-13472.

Huynh, M. T.; Wang, W.; Rauchfuss, T. B.; Hammes-Schiffer, S., "Computational Investigation of [FeFe]-Hydrogenase Models: Characterization of Singly and Doubly Protonated Intermediates and Mechanistic Insights", Inorg. Chem. 201453, 10301.

Tse, E. C. M.; Schitler, D.; Gray, D. L.; Rauchfuss, T. B.; Gewirth, A. A. "Multicopper Models for the Laccase Active Site: Effect of Nuclearity on Electrocatalytic Oxygen Reduction" Inorg. Chem. 201453, 8505–8516.

Huynh, M. T.; Schilter, D.; Hammes-Schiffer, S.; Rauchfuss, T. B. "Protonation of Nickel-Iron Hydrogenase Models Proceeds after Isomerization at Nickel" J. Am. Chem. Soc. 2014136, 12385.

Lansing, J. C.; Camara, J. M.; Gray, D. E.; Rauchfuss, T. B. "Hydrogen Production Catalyzed by Bidirectional, Biomimetic Models of the [FeFe]-Hydrogenase Active Site" Organometallics 201433, 5897-5906.

Lin, T.; Ulloa, O. A.; Rauchfuss, T. B.; Gray, D. L. "Diiron Azamonothiolates by the Scission of Dithiadiazacyclooctanes by Iron Carbonyls" Eur. J. Inorg. Chem. 2014, 4109 .

Zhou, X.; Mitra, J.; Rauchfuss, T. B. "Lignol Cleavage by Pd/C Under Mild Conditions and Without H2: A Role for Benzylic C-H Activation?" ChemSusChem 20147, 1623.

Wang, W.; Rauchfuss, T. B.; Zhu, L.; Zampella, G. "New Reactions of Terminal Hydrides on a Diiron Dithiolate", J. Am. Chem. Soc. 2014136, 5773.

Breitzer, J. G.; Holloway, G. A.; Rauchfuss, T. B.; Salata, M. R. "Electrochemical Synthesis of Tetraethylammonium Tetrathiooxalate" Inorg. Synth. 201436, 201.

Lansing, J. C.; Manor, B. C.; Rauchfuss, T. B. "Hydrogenase Models" in Encyclopedia of Inorganic and Bioinorganic Chemistry; Scott, R. A., Ed.; John Wiley: Chichester, 2014.

Manor, B. C.; Ringenberg, M. R. Rauchfuss, T. B. "Borane-Protected Cyanides as Surrogates of H-Bonded Cyanides in [FeFe]-Hydrogenase Active Site Models", Inorg. Chem 201453, 7241.

Chambers, G.; Mitra, J.; Rauchfuss, T. B.; Stein, M. "Ni(I)-Ru(II) Model for the Ni-L State of the [NiFe]-Hydrogenases: Synthesis, EPR Spectroscopy, H2 Activation", Inorg. Chem. 201453, 4243.

Carroll, M. E.; Chen, J.; Gray, D. E.; Lansing, J. C.; Rauchfuss, T. B.; Schilter, D.; Volkers, P. I.; Wilson, S. R., "Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates", Organometallics 201433, 858.

2009 - 2013 publications