CSD Physical Organic Chemistry Group
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Selected Publications By Topic

Pyrolysis of Biomass Model Compounds

A. Beste, A. C. Buchanan, III, “Computational Study of Bond Dissociation Enthalpies for Lignin Model Compounds. Substituent Effects in Phenethyl Phenyl Ethers,” J. Org. Chem. 2009, in press.

A. Beste, A. C. Buchanan, III, and R. J. Harrison, “Computational Prediction of a/ß-Selectivities in the Pyrolysis of Oxygen Substituted Phenethyl Phenyl Ethers,” J. Phys. Chem. A 2008, 112, 4982-4988.

P. F. Britt, M. K. Kidder, and A. C. Buchanan, III, “Oxygen Substituent Effects in the Pyrolysis of Phenethyl Phenyl Ethers,” Energy Fuels 2007, 21, 3102-3108.

A. Beste, A. C. Buchanan, III, P. F. Britt, B. C. Hathorn, and R. J. Harrison, “Kinetic Analysis of the Pyrolysis of Phenethyl Phenyl Ether: Computational Prediction of a/ß-Selectivities,” J. Phys. Chem. A 2007, 111, 12118-12126.

P. F. Britt, A. C. Buchanan, III, M. K. Kidder, and C. V. Owens, Jr., “Influence of Steroid Structure on the Pyrolytic Formation of Polycyclic Aromatic Hydrocarbons,” J. Anal. Appl. Pyrolysis 2003, 66, 71-95.

P. F. Britt, A. C. Buchanan, III, M. J. Cooney, D. R. Martineau, “Flash Vacuum Pyrolysis of Methoxy-Substituted Lignin Model Compounds,” J. Org. Chem. 2000, 65, 1376-1389.

Pore Confinement Effects on Organic Reactions

R. Dabestani, M. K. Kidder, A. C. Buchanan, III, “Pore Size Effect on the Dynamics of Excimer Formation for Chemically Attached Pyrene on Various Silicas,” J. Phys. Chem. C 2008, 112, 11468-11475.

M. K. Kidder and A. C. Buchanan, III, “Effect of Pore Confinement and Molecular Orientation on Hydrogen Transfer for a Free-Radical Reaction in Mesoporous Silica,” J. Phys. Chem. C 2008, 112, 3027-3031.

E. J. Kintzel, Jr., K. W. Herwig, M. K. Kidder, P. F. Britt, A. C. Buchanan, III, and A. L. Chaffee, “A Quasielastic Neutron Scattering Study of the Dynamics of Alkane and Ether Molecules Tethered to the Surface of MCM-41,” In Quasi-Elastic Neutron Scattering Conference 2006, Sokol, P. E., Kaiser, H., Baxter, R., Pynn, R., Bossev, D., Leuschner, M., Eds.; Materials Research Society: Warrendale, PA, 2007, pp 31-36.

M. K. Kidder, P. F. Britt, A. L. Chaffee, and A. C. Buchanan, III,” Confinement Effects on Product Selectivity in the Pyrolysis of Phenethyl Phenyl Ether in Mesoporous Silica,” Chem. Commun. 2007, 52-54.

M. K. Kidder, P. F. Britt, and A. C. Buchanan, III, “Pyrolysis of Benzyl Phenyl Ether Confined in Mesoporous Silica,” Energy Fuels 2006, 20, 54-60.

M. K. Kidder, P. F. Britt, Z. Zhang, S. Dai, E. W. Hagaman, A. L. Chaffee, and A. C. Buchanan, III, “Pyrolysis of Mesoporous Silica-Immobilized 1,3-Diphenylpropane. Impact of Pore Confinement and Size,” J. Am. Chem. Soc. 2005, 127, 6353-6360.

Metal Hydrides for Hydrogen Storage

J-C Zhao, D. A. Knight, G. M. Brown, J. W. Reiter, R. C. Bowman, Jr., J. A. Zan, J. G. Kulleck, C. Kim, and S.-J. Hwang, “Study of Aluminoborane Compound AlB4H11 for Hydrogen Storage,” J. Phys Chem. C, 2009, 113, 2-11.

NMR Spectroscopy

Hagaman, E. W.; Jiao, J.; Moore, T. “The Generation of Intense Radiofrequency Fields in µCoils” J. Magn. Reson. 2008 193, 150-152.

Jiao, J.; Lee, M-Y.; Barnes, C. E.; Hagaman, E. W. "119Sn NMR Chemical Shift Tensors in Anhydrous and Hydrated Si8O20(SnMe3)8 Crystals” Magn. Reson. Chem,. 2008, 46, 690-692.

Yan, W. F.; Ma, Z.; Mahurin, S. M.; Jiao, J.; Hagaman, E.W.; Overbury, S. H.; Dai, S. “Novel Au/TiO2/Al2O3 ·xH2O Catalysts for CO Oxidation” Catal. Lett. 2008, 121, 209-218.

Kidder, M. K.; Britt, P. F.; Zhang, Z.; Dai, S.; Hagaman, E. W.; Chaffee, A. L.; Buchanan, A. C. III “ Pyrolysis of Mesoporous Silica Immobilized 1,3-Diphenylpropane. Impact of Pore Confinement and Size” J. Am. Chem. Soc. 2005, 127, 6353-6360.

Zhu, H.; Pan, Z.; Hagaman, E. W.; Liang, C.; Overbury, S. H.; Dai, S. “Facile One-Pot Synthesis of Gold Nanoparticles Stabilized with Bifunctional Amino/Siloxy Ligands” J. Coll. Interface Sci. 2005, 287, 360-365.

Hagaman, E. W.; Zhu, H.; Overbury, S. H.; Dai, S. “13C NMR Characterization of the Organic Constituents in Ligand-Modified Hexagonal Mesoporous Silicas: Media for the Synthesis of Small, Uniform-Size Gold Nanoparticles” Langmuir, 2004, 20, 9577-9584.

Sigman, M. E.; Read, S.; Barbas, J. T.; Ivanov, I.; Hagaman, E. W.; Buchanan , III, A. C.; Dabestani, R.; Kidder, M. K.; Britt, P. F. “Rapid Molecular Motion of Pyrene and Benzene Moieties Covalently Attached to Silica Surfaces” J. Phys. Chem. A, 2003, 107, 3450-3456.

Materials and Techniques for Forensics

Wargacki, S. P., Lewis, L. A., Dadmun, M. D., “Enhancing the quality of aged latent fingerprints developed by superglue fuming: Loss and replenishment of initiator,” J Forensic Sci. 2008, 53(5),1138-1144.

Wargacki, S. P., Lewis, L. A., Dadmun, M. D., “Understanding the Chemistry of the Development of Latent Fingerprints by Superglue Fuming,” J. Forensic Sci. 2007, 52(5),1057-1062.

Tuinman, A., Lewis, L., Lewis, S., “Enhanced Trace-Fiber Color Discrimination by Electrospray Ionization Mass Spectrometry: A Tool for the Analysis of Dyes Extracted from Sub-millimeter Nylon Fibers,” Anal. Chem. 2003, 75(11), 2753 - 2760.

Lewis, L. A., Smithwick, R. W., DeVault, G. L., Bolinger, B., Lewis, S. A., “Processes Involved in the Development of Latent Fingerprints using the Cyanoacrylate Fuming Method,” J. Forensic Sci. 2001, 46(2), 241-246.

Lewis, L. A., Devault, G. L., Smithwick, III, R. W., Lewis, S. A., "Analysis of Anionic Dyes By MEKC Using Large-Volume Stacking and Polarity Switching," Pittcon 2001 Abstracts, March 1-5; New Orleans, LA, Abstract 1070, 2001.

Lewis, L. A., DeVault, G. L., Tuinman, A., Lewis, S. A., Smithwick, R. W., “Enhanced Trace-Evidence Discrimination,” Report No. Y/DK-1159, Lockheed Martin Energy Systems, Inc., Oak Ridge, TN, 2000.

Lewis, S. A., Lewis, L. A., Tuinman, A., “Potassium nitrite reaction with 11-nor-delta9-tetrahydrocannabinol-9-carboxylic acid in urine in relation to the drug screening analysis,” J. Forensic Sci. 1999, 44(5), 951-955.

Physical Organic Chemistry Group

Provided by Oak Ridge National Laboratory's Chemical Sciences Division
Rev:  March 2009