Daniel DuBois
Senior Scientist
Institute for Interfacial Catalysis
Pacific Northwest National Laboratory
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P.O. Box 999 / K2-57
Richland, WA 99352
Dr. DuBois is currently a Senior Scientist at Pacific Northwest National Laboratory. He joined PNNL in January 2006. From 1981-2005 Dr. DuBois was a Principal Scientist at the National Renewable Energy Laboratory and manager of the Synthesis and Catalysis team at NREL from 1985 to 2005. His research interests include studies of fuel production and fuel utilization reactions using molecular catalysts, synthetic organometallic and inorganic chemistry, and thermodynamic studies relevant to catalysis. New classes of molecular catalysts have been developed for CO2 reduction, electrochemical CO2 pumping, and for hydrogen oxidation and production. New methods for determining the thermodynamic properties of transition-metal hydride complexes, important and common intermediates in a wide range of catalytic reactions, were also developed by the Synthesis and Catalysis Team at NREL.
Dr. DuBois was co-chairman of the Sixth International Conference on Carbon Dioxide Utilization held in Breckenridge Colorado from Sept. 9 - Sept. 14, 2001. He is the author of over 60 papers. He has served on national laboratory review boards for both US and international laboratories.
Education
Ph.D. in chemistry from Ohio State University
B.A. in chemistry from Indiana Central University.
Recent Publications
Henry, R. M.; Shoemaker, R. K.; DuBois,, D. L.; and DuBois, M. R. "Pendant Bases as Proton Relays in Iron Hydride and Dihydrogen Complexes," J. Am. Chem. Soc. 2006, 128, in press.
Wilson, A. D.; Newell, R. H.; McNevin, M. J.; Muckerman, J. T.; DuBois, M. R.; DuBois, D. L. "Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays," J. Am. Chem. Soc. 2006, 128, 358-366.
Appel, A. M.; DuBois, D. L.; DuBois, M. R. "Molybdenum-Sulfur Dimers as Electrocatalysts for the Production of Hydrogen at Low Overpotentials," J. Am. Chem. Soc. 2005, 127, 12717-12726.
Henry, R. M.; Shoemaker, R. K.; Newell, R. H.; Jacobsen, G. M.; DuBois, D. L.; Rakowski DuBois, M. "Stereochemical Control of Iron(II) Complexes Containing a Diphosphine Ligand with a Pendant Nitrogen Base," Organometallics, 2005, 24, 2481-2491.
Appel, A. M.; Newell, R.; DuBois, D. L.; Rakowski DuBois, M. "Concentration of Carbon Dioxide by Electrochemically Modulated Complexeation with a Binuclear Copper Complex," Inorg. Chem. 2005, 44, 3046-3056.
DuBois, D. L. "Electrochemical Reactions of Carbon Dioxide," Encyclopedia of Electrochemistry, Chapter, accepted.
Raebiger, J. W.; DuBois, D. L. "Thermodynamic Studies of HRh(depx)2 and [(H)2Rh(depx)2](CF3SO3): Relationships between Five-Coordinate Monohydrides and Six-Coordinate Dihydrides," Organometallics 2005, 24, 110-118.
Newell, R.; Appel, A.; DuBois, D. L.; Rakowski DuBois, M. "Studies of Bicarbonate Binding by Dinuclear and Mononuclear Ni(II) Complexes," Inorg. Chem. 2005, 44, 365-373.
Scovazzo, P.; Kieft, J.; Finan, D. S.; Koval, C.; DuBois, D.; Noble, R."Gas Separations Using Non-Hexafluorophosphate [PF6]- Anion Supported Ionic Liquid Membranes," J. Memb. Sc. 2004, 238, 57-63.
Miedaner, A.; Raebiger, J. W.; Curtis, C. J.; Miller, S. M.; DuBois, D. L. "Thermodynamic Studies of [HPt(EtXantphos)2]+ and [(H)2Pt(EtXantphos)2]2+," Organometallics 2004, 23, 2670-2679.
Raebiger, J. W.; Miedaner, A.; Curtis, C. J.; Miller, S. M.; DuBois, D. L. "Using Ligand Bite Angles to Control the Hydricity of Palladium Diphosphine Complexes," J. Am. Chem. Soc. 2004, 126, 5502-5514.
Ellis, W. W.; Raebiger, J. W.; Curtis, C. J.; Bruno, J. W.; DuBois, D. L. "Hydricities of BzNADH, C5H5Mo(PMe3)(CO)2H, and C5Me5Mo(PMe3)(CO)2H in Acetonitrile," J. Am. Chem. Soc. 2004, 126, 2738-2743.
Curtis, C. J.; Miedaner, A.; Raebiger, J. W.; DuBois, D. L. "Periodic Trends in Metal Hydride Donor Thermodynamics: Measurement and Comparison of the Hydride Donor Abilities of the Series [HM(PNP)2]+ (M = Ni, Pd, Pt; PNP = Et2PCH2N(Me)CH2PEt2)," Orgnometallics, 2004, 23, 511-516.
Ellis, W. W.; Ciancanelli, R.; Miller, S. M.; Raebiger, J. W.; DuBois, M. R.; DuBois, D. L. "Thermodynamic Hydride Donor Abilities of [HW((CO)4L]- Complexes (L = PPh3, P(OMe)3, CO) and Their Reactions with [C5Me5Re(PMe3)(NO)(CO)]+," J. Am. Chem. Soc. 2003, 125, 12230-12236.
Curtis, C. J.; Miedaner, A.; Ciancanelli, R. F.; Ellis, W. W.; Noll, B. C.; DuBois, M. R.; DuBois, D. L. "[Ni(Et2PCH2NMeCH2PEt2)2]2+: A Functional Model for Hydrogenases," Inorg. Chem. 2003, 42, 216-227.
Scovazzo, P.; Poshusta, J.; DuBois, D. L.; Koval, C. A.; Noble, R. D. "Electrochemical Separation and Concentration of <1% Carbon Dioxide from Nitrogen," J. Electrochem. Soc., 2003, 150, D91-D98.
Price, A. J.; Ciancanelli, R., Noll, B. C.; Curtis, C. J.; DuBois, D. L.; DuBois, M. R. "HRh(dppb)2, A Powerful Hydride Donor," Organometallics, 2002, 21,4833-4839.
Ciancanelli, R. F.; Noll, B. C.; DuBois, D. L.; DuBois, M. R. "Comprehensive Thermodynamic Characterization of the Metal-Hydrogen Bond in a Series of Cobalt-Hydride Complexes," J. Am. Chem. Soc. 2002, 124, 2984-2992.
Ellis, W. W.; Miedaner, A.; Gibson, D. H., Curtis, C. J., DuBois, D. L. "Hydride Donor Abilities and Bond-Dissociation Free Energies of Transition Metal Formyl Complexes," J. Am. Chem. Soc. 2002, 124, 1926-1932.
Curtis, C. J.; Miedaner, A.; Ellis, W. W.; DuBois, D. L. "Measurement of the Hydride Donor Abilities of [HM(diphosphine)2]+ Complexes (M = Ni, Pt) by Heterolytic Activation of Hydrogen," J. Am. Chem. Soc. 2002, 124, 1918-1925.
Scovazzo, P.; Visser, A. E.; Davis, J. H., Jr., Rogers, R. D.; Koval, C. A.; DuBois, D. L.; Noble, R. D. "Supported Ionic Liquid Membranes (SILMs) and Facilitated Ionic Liquid Membranes (FILMs)," In Ionic Liquids: Industrial Applications to Green Chemistry; ACS Symposium Series 818; Rogers, R. D.; Seddon, K. R. Eds.; American Chemical Society: Washington, DC, 2002; pp 69-87.
Berning, D. E.; Miedaner, A.; Curtis, C. J.; Noll, B. C.; DuBois, M. R.; DuBois, D. L. "Free-Energy Relationships Between the Proton and Hydride Donor Abilities of [HNi(diphosphine2)]+ Complexes and the Half-Wave Potentials of Their Conjugate Bases," Organometallics, 2001, 20, 1832-1839.
Aresta, M; Armor,J. N.; Barteau, M. A.; Beckman, E. J.; Bell, A. T.; Bercaw, J. E.; Creutz, C.; Dinjus, E.; Dixon, D. A.; Domen, K.; DuBois, D. L.; Eckert, J.; Fujita, E.; Gibson, D. H.; Goddard, W. A.; Goodman, D. W.; Keller, J.; Kubas, G. J.; Kung, H. H.; Lyons, J. E.; Manzer, L.E.; Marks, T. J.; Morokuma, K.; Nicholas, K. M.; Periana, R.; Que, L.; Rostrup-Nielson, J.; Sachtler, W. M. H.; Schmidt, L. D.; Sen, A.; Somorjai, G. A.; Stair, P. C.; Stults, B. R.; Tumas, W. "Catalysis Research of Relevance to Carbon Management: Progress, Challenges, and Opportunities," Chem. Rev. 2001, 953-996.
DuBois, D. L.; Berning, D. E. "Hydricity of Transition Metal Hydrides and Its Role in CO2 Reduction," Appl. Organometal. Chem. 2000, 14, 860-862.
