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  • Thomas B Rauchfuss
2016

Cobalt Phosphino-α-Iminopyridine-Catalyzed Hydrofunctionalization of Alkenes: Catalyst Development and Mechanistic Analysis

Chu, W. Y., Gilbert-Wilson, R., Rauchfuss, T. B., Van Gastel, M. & Neese, F., Sep 12 2016, In : Organometallics. 35, 17, p. 2900-2914 15 p.

Research output: Contribution to journalArticle

Effect of Pyramidalization of the M2(SR)2 Center: The Case of (C5H5)2Ni2(SR)2

Chambers, G. M., Rauchfuss, T. B., Arrigoni, F. & Zampella, G., Mar 14 2016, In : Organometallics. 35, 5, p. 836-846 11 p.

Research output: Contribution to journalArticle

Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides

Schilter, D., Camara, J. M., Huynh, M. T., Hammes-Schiffer, S. & Rauchfuss, T. B., Aug 10 2016, In : Chemical reviews. 116, 15, p. 8693-8749 57 p.

Research output: Contribution to journalReview article

Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls

Chu, W. Y., Richers, C. P., Kahle, E. R., Rauchfuss, T. B., Arrigoni, F. & Zampella, G., Sep 12 2016, In : Organometallics. 35, 17, p. 2782-2792 11 p.

Research output: Contribution to journalArticle

Insights into the Hydrolytic Polymerization of Trimethoxymethylsilane. Crystal Structure of (MeO)2MeSiONa

Richers, C. P., Bertke, J. & Rauchfuss, T. B., Jun 20 2016, In : Inorganic Chemistry. 55, 12, p. 5744-5746 3 p.

Research output: Contribution to journalArticle

Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides

Ulloa, O. A., Huynh, M. T., Richers, C. P., Bertke, J. A., Nilges, M. J., Hammes-Schiffer, S. & Rauchfuss, T. B., Jul 27 2016, In : Journal of the American Chemical Society. 138, 29, p. 9234-9245 12 p.

Research output: Contribution to journalArticle

Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site

Chambers, G. M., Huynh, M. T., Li, Y., Hammes-Schiffer, S., Rauchfuss, T. B., Reijerse, E. & Lubitz, W., Jan 19 2016, In : Inorganic Chemistry. 55, 2, p. 419-431 13 p.

Research output: Contribution to journalReview article

Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6

Zhou, X., Barton, B. E., Chambers, G. M., Rauchfuss, T. B., Arrigoni, F. & Zampella, G., Apr 4 2016, In : Inorganic Chemistry. 55, 7, p. 3401-3412 12 p.

Research output: Contribution to journalArticle

Rational Synthesis of the Carbonyl(perthiolato)diiron [Fe2(S3CPh2)(CO)6] and Related Complexes

Zhao, P., Gray, D. L. & Rauchfuss, T. B., Jan 1 2016, In : European Journal of Inorganic Chemistry. 2016, 17, p. 2681-2683 3 p.

Research output: Contribution to journalArticle

Synthesis of Diiron(I) Dithiolato Carbonyl Complexes

Li, Y. & Rauchfuss, T. B., Jun 22 2016, In : Chemical reviews. 116, 12, p. 7043-7077 35 p.

Research output: Contribution to journalReview article

2017

Characterization of a borane σ complex of a diiron dithiolate: Model for an elusive dihydrogen adduct

Lalaoui, N., Woods, T., Rauchfuss, T. B. & Zampella, G., Jun 12 2017, In : Organometallics. 36, 11, p. 2054-2057 4 p.

Research output: Contribution to journalArticle

Diiron Dithiolate Hydrides Complemented with Proton-Responsive Phosphine–Amine Ligands

Carlson, M. R., Gilbert-Wilson, R., Gray, D. R., Mitra, J., Rauchfuss, T. B. & Richers, C. P., Jul 7 2017, In : European Journal of Inorganic Chemistry. 2017, 25, p. 3169-3173 5 p.

Research output: Contribution to journalArticle

Open Access

Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy

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., Mar 29 2017, In : Journal of the American Chemical Society. 139, 12, p. 4306-4309 4 p.

Research output: Contribution to journalArticle

Interplay between terminal and bridging diiron hydrides in neutral and oxidized states

Yu, X., Tung, C. H., Wang, W., Huynh, M. T., Gray, D. L., Hammes-Schiffer, S. & Rauchfuss, T. B., Jun 12 2017, In : Organometallics. 36, 11, p. 2245-2253 9 p.

Research output: Contribution to journalArticle

Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory

Pelmenschikov, V., Birrell, J. A., Pham, C. C., Mishra, N., Wang, H., Sommer, C., Reijerse, E., Richers, C. P., Tamasaku, K., Yoda, Y., Rauchfuss, T. B., Lubitz, W. & Cramer, S. P., Nov 22 2017, In : Journal of the American Chemical Society. 139, 46, p. 16894-16902 9 p.

Research output: Contribution to journalArticle

Syntheses of transition metal methoxysiloxides

Richers, C. P., Bertke, J. A. & Rauchfuss, T. B., Jan 1 2017, In : Dalton Transactions. 46, 27, p. 8756-8762 7 p.

Research output: Contribution to journalArticle

Synthetic Models for Nickel-Iron Hydrogenase Featuring Redox-Active Ligands

Schilter, D., Gray, D. L., Fuller, A. L. & Rauchfuss, T. B., Jan 1 2017, In : Australian Journal of Chemistry. 70, 5, p. 505-515 11 p.

Research output: Contribution to journalArticle

2018

A [RuRu] Analogue of an [FeFe]-Hydrogenase Traps the Key Hydride Intermediate of the Catalytic Cycle

Sommer, C., Richers, C. P., Lubitz, W., Rauchfuss, T. B. & Reijerse, E. J., May 4 2018, In : Angewandte Chemie - International Edition. 57, 19, p. 5429-5432 4 p.

Research output: Contribution to journalArticle

Electron-Rich, Diiron Bis(monothiolato) Carbonyls: C-S Bond Homolysis in a Mixed Valence Diiron Dithiolate

Li, Q., Lalaoui, N., Woods, T. J., Rauchfuss, T. B., Arrigoni, F. & Zampella, G., Apr 16 2018, In : Inorganic Chemistry. 57, 8, p. 4409-4418 10 p.

Research output: Contribution to journalArticle

Fe and Co Complexes of Rigidly Planar Phosphino-Quinoline-Pyridine Ligands for Catalytic Hydrosilylation and Dehydrogenative Silylation

Basu, D., Gilbert-Wilson, R., Gray, D. L., Rauchfuss, T. B. & Dash, A. K., Aug 27 2018, In : Organometallics. 37, 16, p. 2760-2768 9 p.

Research output: Contribution to journalArticle

Ni(ii) complexes of the phosphine-oxime Ph2PC6H4-2-CH=NOH

Basu, D., Woods, T. J. & Rauchfuss, T. B., Jan 1 2018, In : Dalton Transactions. 47, 21, p. 7256-7262 7 p.

Research output: Contribution to journalArticle

Sterically Stabilized Terminal Hydride of a Diiron Dithiolate

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., Feb 19 2018, In : Inorganic Chemistry. 57, 4, p. 1988-2001 14 p.

Research output: Contribution to journalArticle

2019

Asymmetry in the Ligand Coordination Sphere of the [FeFe] Hydrogenase Active Site Is Reflected in the Magnetic Spin Interactions of the Aza-propanedithiolate Ligand

Reijerse, E. J., Pelmenschikov, V., Birrell, J. A., Richers, C. P., Kaupp, M., Rauchfuss, T. B., Cramer, S. P. & Lubitz, W., Nov 7 2019, In : Journal of Physical Chemistry Letters. 10, 21, p. 6794-6799 6 p.

Research output: Contribution to journalArticle

Open Access

Iron Carbide-Sulfide Carbonyl Clusters

Liu, L., Rauchfuss, T. B. & Woods, T. J., Jul 1 2019, In : Inorganic Chemistry. 58, 13, p. 8271-8274 4 p.

Research output: Contribution to journalArticle

Redox and "antioxidant" Properties of Fe 2 (μ-SH) 2 (CO) 4 (PPh 3 ) 2

Kagalwala, H. N., Lalaoui, N., Li, Q. L., Liu, L., Woods, T. & Rauchfuss, T. B., Feb 18 2019, In : Inorganic Chemistry. 58, 4, p. 2761-2769 9 p.

Research output: Contribution to journalArticle

Synthetic Designs and Structural Investigations of Biomimetic Ni-Fe Thiolates

Basu, D., Bailey, T. S., Lalaoui, N., Richers, C. P., Woods, T. J., Rauchfuss, T. B., Arrigoni, F. & Zampella, G., Feb 18 2019, In : Inorganic Chemistry. 58, 4, p. 2430-2443 14 p.

Research output: Contribution to journalArticle

The binuclear cluster of [FeFe] hydrogenase is formed with sulfur donated by cysteine of an [Fe(Cys)(CO)2(CN)] organometallic precursor

Rao, G., Pattenaude, S. A., Alwan, K., Blackburn, N. J., Britt, R. D. & Rauchfuss, T. B., Oct 15 2019, In : Proceedings of the National Academy of Sciences of the United States of America. 116, 42, p. 20850-20855 6 p.

Research output: Contribution to journalArticle

Open Access
2020

Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-Bridged Intermediates

Birrell, J. A., Pelmenschikov, V., Mishra, N., Wang, H., Yoda, Y., Tamasaku, K., Rauchfuss, T. B., Cramer, S. P., Lubitz, W. & Debeer, S., Jan 8 2020, In : Journal of the American Chemical Society. 142, 1, p. 222-232 11 p.

Research output: Contribution to journalArticle

Open Access