Better Chemistry for a Sustainable Future.

Publications and Patents

“Examples of Xylochemistry: Colorants and Polymer,” Kühlborn, J.; Danner, A.-K.; Frey, H.; Iyer, R.; Arduengo III, A. J.; Opatz, T. Green Chem., 2017, 19, 3780–3786. DOI: 10.1039/C7GC01244F

“The Role of N-Heterocyclic Carbenes as Ligands in Iridium Carbonyl Clusters,” Zhang, S.; Foyle, S. D.; Okrut, A.; Solovyov, A.; Katz, A.; Gates, B. C; Dixon, D. A. J. Phys. Chem. A., 2017, 121, 5029–5044. DOI: 10.1021/acs.jpca.7b04161

“High-energy-resolution X-ray Absorption Spectroscopy for Identification of Reactive Surface Species on Supported Single-Site Iridium Catalysts,” Hoffman, A. S.; Sokaras, D.; Zhang, S.; Debefve, L. M.; Fang, C.-Y.; Gallo, A.; Kroll, T.; Dixon, D. A.; Bare, S. R.; Gates, B. C. Chem. Eur. J., 2017, in Press, ####–####. DOI: 10.1002/chem.201701459

“Acid Gas Adsorption on Metal−Organic Framework Nanosheets as a Model of an “All-Surface” Material,” Howe, J. D.; Liu, Y.; Flores, L. Dixon, D. A.; Sholl, D. S. J. Chem. Theor. Comp., 2017, 13, 1341−1350. DOI: 10.1021/acs.jctc.7b00041

“Investigation of silica-supported vanadium oxide catalysts by high-field 51V MAS NMR,” Jaegers, N. R.; Wan, C.; Hu, M. Y.; Vasiliu, M.; Dixon, D. A.; Walter, E.; Wachs, I. E.; Wang, Y.; Hu, J. Z., J. Phys. Chem. C, 2017, 121, 6246–6254. DOI: 10.1021/acs.jpcc.7b01658

“Prediction of Bond Dissociation Energies/Heat of Formation for Diatomic Transition Metal Compounds: CCSD(T) Works,” Fang, Z.; Vasiliu, M.; Peterson, K. A.; Dixon, D. A. J. Chem. Theor. Comp., 2017, 13, 1057−1066. DOI: 10.1021/acs.jctc.6b00971

“Acidity of M(VI)O2(OH)2 for M = Group 6, 16, and U as Central Atoms,” Feng, R.; Vasiliu, M.; Peterson, K. A.; Dixon, D. A. J. Phys. Chem. A, 2017, 121, 1041−1050. DOI: 10.1021/acs.jpca.6b11889

“Single-site osmium catalysts on MgO: synthesis, reactivity, and catalysis of CO oxidation,” Yang, D.; Zhang, S.; Xu, P.; Browning, N. D.; Dixon, D. A.; Gates, B. C. Chem. Eur. J., 2017, 23, 2532 –2536. DOI: 10.1002/chem.201605131

“In Situ Natural Abundance 17O and 25Mg NMR Investigation of Aqueous Mg(OH)2 Dissolution in the Presence of Supercritical CO2,” Hu, M. Y.; Deng, X.; Thanthiriwatte, K.S.; Jackson, V. E.; Wan, C.; Qafoku, O.; Dixon, D. A.; Felmy, A. R.; K. Rosso, K.M.; Hu, J. Z. Environ. Sci. Technol., 2016, 50, 12373–12384. DOI: 10.1021/acs.est.6b03443

“Sunflow: Sunlight Drives Fast and Green Photochemical Flow Reactions in Simple Microcapillary Reactors – Application to Photoredox and H-Atom-Transfer Chemistry,” Nauth, A. M.; Lipp, A.; Lipp, B.; Opatz, T. in Eur. J. Org. Chem., 2017, On Line, in–press. DOI: 10.1002/ejoc.201601394Publisher's Video Abstract.

“An Asymmetric One-Pot Synthesis of (3R, 3aS, 6aR)-Hexahydrofuro [2, 3-b] furan-3-ol: A Key Component of Current HIV Protease Inhibitors,” Sevenich, A.; Liu, G.-Q.; Arduengo III, A. J.; Gupton, B. F.; Opatz, T. in J. Org. Chem., 2017, 82(2), 1218–1223. DOI: 10.1021/acs.joc.6b02588

“Catalytic Chemistry on Oxide Nanostructures,” Asthagiri, A.; Dixon, D. A.; Dohnálek, Z.; Kay, D. B.; Rousseau, R.; Rodriguez, J. A.; Stacchiola, D. J.; Weaver, J. F. in Oxide Materials at the Two-dimensional Limit, Netzer, F.; Fortunelli, A. Eds. Springer Series in Materials Science, Springer, Switzerland, 2016, Ch. 9, pp. 251–280.

“Blending materials composed of Boron, Nitrogen and Carbon to transform approaches to Liquid Hydrogen Stores,” Whittemore, S. M.; Bowden, M.; Karkamkar, A.; Parab, K.; Neiner, D.; Autrey, T.; Ishibashi, J. S. A.; Chen, G.; Liu, S.-Y.; Dixon, D. A. Dalton Trans., 2016, 45, 6196-6203. DOI: 10.1039/C5DT04276C

“Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation,” Leclerc, M. C.; Bayne, J. M.; Lee, G. M.; Gorelsky, S. I.; Vasiliu, M.; Korobkov, I.;  Harrison, D. J.; Dixon, D. A.; Baker, R. Tom J. Am. Chem. Soc., 2015, 137, 16064–16073. DOI: 10.1021/jacs.5b12003

“Reduction of CO2 to Methanol using Aluminum Ester FLPs,” Smythe, N. C.;  Dixon, D. A.; Garner, E. B., III; Rickard, M. M.; Mendéz, M.;  Scott, B. L.; Zelenay, B.; Sutton, A. D. Inorg. Chem. Comm., 2015, 61, 207–209. DOI: 10.1016/j.inoche.2015.10.009

“Molecular Models of Site-Isolated Cobalt, Rhodium, and Iridium Catalysts Supported on Zeolites: Ligand Bond Dissociation Energies” Chen, M.; Serna, P.; Lu,J.; Gates, B. C.; Dixon, D. A. Comp. Theor. Chem., 2015, 1074, 58–72. DOI: 10.1016/j.comptc.2015.09.004

“Structures, Relative Energies, and Ligand Dissociation Energies of Iridium Carbonyl Phosphine Clusters” Zhang, S,;Katz, A,; B. C. Gates, B. C.; Dixon, D. A. Comp. Theor. Chem. 2015, 1069, 18–35. DOI: DOI: 10.1016/j.comptc.2015.06.025

“Single-Site Zeolite-Anchored Organoiridium Carbonyl Complexes: Characterization of Structure and Reactivity by Spectroscopy and Computational Chemistry” Martinez-Macias, C.; Chen, M.; Dixon, D. A.; Gates, B. C. Chem. Eur. J. 2015, 21, 11825–11835. DOI: DOI:10.1002/chem.201501277

“Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material” Chen, G.;. Zakharov, L. N.; Bowden, M. E.; Karkamkar, A. J.; Whittemore, S. M.; Garner, E. B.; Mikulas, T. C.;Dixon, D. A.; Autrey, T.; Liu, S.-Y. J. Am. Chem. Soc. 2015, 137, 134–137. DOI: DOI: 10.1021/ja511766p

“Backbone Phosphonamide-Functionalized Imidazol-2-ylidene Complexes” Majhi, Paresh K.;  Schnakenburg, Gregor; Arduengo III, Anthony J.; Streubel, Rainer Aust. J. Chem. 2016, 69(10), 1186–1192. DOI: 10.1071/CH16132

“Electrochemical Conversion of Muconic Acid to Biobased Diacid Monomers” Matthiesen, John E.; Carraher, Jack M.; Vasiliu, Monica; Dixon, David A.; Tessonnier, Jean-Philippe ACS Sus.Chem. and Eng. 2016, 4, 3575−3585. DOI:10.1021/acssuschemeng.6b00679

“1,2-Ethanediol and 1,3-Propanediol Conversions over (MO3)3 (M = Mo, W) Nanoclusters: A Computational Study” Fang, Zongtang; Zetterholm, Patrick; Dixon, David A. J. Phys. Chem A. 2016, 120, 1897−1907 DOI: 10.1021/acs.jpca.6b00158.

“Xylochemie – Ein Beitrag zur Nachhaltigen Chemischen Synthese” Opatz, Till; Arduengo, Anthony J., III GIT Labor-Fachzeitschrift, February 18, 2016. English translation of Author Accepted Manuscript is available here.

 “Reactions of Imidazol(in)-2-ylidenes with electron deficient Fluoroolefins” Arduengo, Anthony J., III; Calabrese, Joseph C.;  Dias, H. V. Rasika; Davidson, Fredric; Goerlich, Jens R.; Jockisch, Alexander; Kline, Michael; Marshall, William J.; Runyon, Jason W. Phosphorus, Sulfur, Silicon, and the related Elements 2016, 191(3), 527-534. DOI:10.1080/10426507.2015.1094659

“Xylochemistry-Making Natural Products Entirely from Wood” Stubba, Daniel; Lahm, Günther; Geffe, Mario; Runyon, Jason W.; Arduengo, Anthony J., III; Opatz, Till Angew. Chem., Int. Ed. , 2015, 54(47), 14187-14189. DOI:10.1002/anie.201508500

“Verfahren zur Gewinnung von Lignin, Tannin, Cellulose und Hemicellulose aus biogenem Material” W. Kantlehner, S. Stefan DE 102010048614 A1, April 19, 2012.

“The zwitterionic structure of the parent amidinium tetrazolide and a rare tetrazole ring-opening reaction” Uchiyama, Yosuke; Dolphin, Joshua S.; Harlow, Richard L.; Marshall, William J.; Arduengo, Anthony J., III Aust. J. Chem. 2014, 67(3), 405-410. DOI: 10.1071/CH13460

 

Presentations

Stabilizing high oxidation state first row metal complexes with a robust fluoroalkoxy carbene” Runyon, Jason W.; Arduengo, Anthony J. III; Marshall, William; Kelley, Steven 250th National American Chemical Society Meeting. Boston, Massachusetts, August 16, 2015. Program Link

Computational Studies of the Conversion of Biomass” Yue, Shuwen; Dixon, David A. Undergraduate Research and Creative Activity Conference (URCA) 2016. March 31, 2016. Program Link

 Sustainable Chemistry for the Automotive Industry: Finishes & Bodies” Arduengo, Anthony J., III; Opatz, Till Presentation to DAW SE, Ober-Ramstadt, Germany. June 27, 2016