2004 DOE/BES Analysis Program Contractors’ Meeting Annapolis, Maryland February 12 – 14, 2004 Sponsored by The U.S. Department of Energy Office of Basic Energy Sciences Workshop Chair: John Miller 2004 DOE/BES Analysis Program Contractors’ Meeting Program and Abstracts Department of Energy Office of Science Office of Basic Energy Sciences Chemical Sciences, Geosciences and Biosciences Division FOREWORD This abstract booklet provides a record of the 2004 U.S. Department of Energy, Office of Basic Energy Sciences, Analysis Program Contractors’ Meeting. This group of scientists last met as part of the larger Separations and Analysis Program Contractors’ Meeting held in San Diego April 5-7, 2001. The agenda and abstracts of that meeting may be found on the web at http://www.sc.doe.gov/bes/chm/Publications/publications.html. There is wide agreement that a gathering of researchers with common interests and sponsorship provides a fruitful environment for exchange of research results, research techniques, and research opportunities. The primary means of communicating research achievements and perspectives at this meeting is oral presentations, formal discussion periods and informal breaks and meals. The agenda has been organized so that papers in related disciplines – such as mass spectrometry or optical spectroscopy – are loosely clustered together. I am pleased to have the privilege of organizing this meeting and of serving as the program manager of this world-class research program. In carrying out these tasks, I learn from the achievements, and share the excitement, of the research of the many sponsored scientists and students whose names appear on the papers in the following pages. It is also hoped that this meeting will enhance your research efforts and will nurture future collaborations and initiatives. Thanks are due to all of the researchers whose dedication and innovation have advanced our research and made this meeting possible and, I hope, productive. I am sure that all of you will build on your successes and that we will assemble in a very few years for our next meeting. I offer special thanks to Jody Shumpert of the Oak Ridge Institute for Science and Education and to Karen Talamini of the Chemical Sciences, Geosciences and Biosciences Division in DOE for assisting in the technical and logistical aspects of this meeting. John C. Miller 2004 DOE/BES Analysis Program Contractors’ Meeting AGENDA 2004 DOE/BES Analysis Program Contractors’ Meeting AGENDA (Note: Speakers are bolded - Other contributors are named in abstracts) Wednesday, February 11, 2004 7:00-9:00 pm Registration, Cash Bar and Light Hors d’oeuvres – Lobby Level, Room 260 Thursday, February 12, 2004 7:30-8:00 Registration and Continental Breakfast - Arundel C 8:00 Welcome – John C. Miller U.S. Department of Energy, Office of Science Chemical Sciences, Geosciences and Biosciences Division 8:15- 9:15 Plenary Lecture - Dr. Sune Svanberg, Lund Inst. of Tech., Sweden Chemical analysis by optical and laser spectroscopy ......................................................P1 9:15-9:45 Break Session 1 9:45-10:05 Richard E. Russo Laser Material Interactions (Ablation) for Chemical Analysis ........................................ S1-1 10:05-10:25 J. Thomas Dickinson UV Laser-Surface Interaction Relevant to Analytic Spectroscopy of ............................... S1-2 Wide Band Gap Materials 10:25-10:45 Nicolo Omenetto (with J.D. Winefordner and Ben Smith) Modeling, Diagnostic and Application of the Laser Induced Plasma .............................. S1-3 10:45-11:05 Akos Vertes Excitation, Relaxation and Internal Energy Content in Matrix-Assisted ......................... S1-4 Laser Desorption Ionization 11:05-11:25 Willard W. Harrison Laser Desorption/Discharge Ionization Sources for Mass Spectrometry......................... S1-5 11:25-11:45 Alla Zelenyuk Chemistry and Microphysics of Small Particles............................................................... S1-6 12:00-1:15 Lunch Session 2 1:15-1:35 Julia Laskin (with Jean H. Futrell) Surface-Induced Dissociation of Complex Polyatomic Ions............................................. S2-1 1:35-1:55 David H. Russell Fragmentation Chemistry of Peptide Ions as a Function of N-terminal Residue............. S2-2 and Charge Carrier: [M+H, Li, Na, K, or Cu(I)]+ 1:55-2:15 T. Gregory Schaaff Mass Spectrometry of Nanocrystal and Cluster Compounds ........................................... S2-3 2:15-2:35 Paul B. Farnsworth Ion Sampling and Transport in Plasma Source Mass Spectrometers............................... S2-4 2:35-2:55 Robert Noll (for Gary M. Hieftje) Fundamental Studies of the Inductively Coupled Plasma and Glow Discharge .............. S2-5 2:55-3:15 Akbar Montaser Fundamental Nebulization Processes and Analyte Transport in...................................... S2-6 High-Temperature Plasmas 3:15-3:30 Break Session 3 3:30-3:50 Richard M. Crooks Measurements of Mass Transport Rate Through Well-Defined Nanoscopic.................... S3-1 Tubes 3:50-4:10 Marc D. Porter Chemical Analysis at Nanodomains: Composition, Structure, and Function .................. S3-2 Relationships 4:10-4:30 Eric Borguet Fluorescence Labeling of Surface Species (FLOSS) a Key to Understanding ................. S3-3 the UV Photoreactivity of Alkylsiloxane SAMs 4:30-4:45 Move to Alternate Room – Calvert Ballroom 4:50-6:00 Discussion 6:00 Adjourn and Dinner (on your own) Friday, February 13, 2004 7:30-8:00 Registration and Continental Breakfast – Arundel C 8:00 Welcome - John C. Miller U.S. Department of Energy, Office of Science Chemical Sciences, Geosciences and Biosciences Division 8:15- 9:15 Plenary Lecture - Dr. Michael T. Bowers, University of California, Santa Barbara Ion Mobility: The Method and Its Applications to Problems in Materials and Biochemistry ..............................................................................................................P2 9:15-9:45 Break Session 4 9:45-10:05 Scott A. McLuckey The Dynamics and Thermodynamics of Gaseous Macro-ions.......................................... S4-1 10:05-10:25 Douglas E. Goeringer Physicochemical Processes in RF Quadrupole Ion Traps................................................ S4-2 10:25-10:45 R. S. Houk Inorganic Mass Spectrometry with ICP and Electrospray Ionization Sources ................ S4-3 10:45-11:05 Douglas C. Duckworth Mass Spectrometry of Room Temperature Ionic Liquids.................................................. S4-4 Gary J. Van Berkel Electrostatic and Electrochemical Processes in Electrospray ......................................... S4-5 11:05-11:25 James E. Delmore Surface Ionization Mass Spectrometry ............................................................................. S4-6 11:25-11:45 Gerardo Gamez (for R. Graham Cooks) Ion Motion and Ion Excitation in the Quadrupole Ion Trap Mass ................................... S4-7 Spectrometer: Simulation and Experiment Cooks 12:00-1:30 Lunch Session 5 1:30-1:50 Michael D. Barnes Oriented Polymer Nanostructures: New insights into intramolecular ............................. S5-1 structure and photophysics of conducing polymers 1:50-2:10 Bruce A. Bushaw Triple Resonance Ionization: From Ultra-trace Isotope Analysis to................................ S5-2 High Precision Spectroscopy 2:10-2:30 Jeanne E. Pemberton Vibrational Spectroscopy of Chromatographic Stationary Phases .................................. S5-3 2:30-2:50 Edward M. Eyring Characterization of Intermediates by Attenuated Total Reflectance ................................ S5-4 Infrared Spectroscopy 2:50-3:10 Janos H. Fendler Quantification of Interparticles Forces and Aggregation of Nanoparticles..................... S5-5 3:10-3:30 Robert J. Hurtubise Solid-Matrix Luminescence Analysis and Coupling Solid-Matrix.................................... S5-6 Luminescence with Separation Methodology 3:30-4:00 Break Session 6 4:00-4:20 Gary E. Maciel Multinuclear Magnetic Resonance Study of Silica and Modified Silica........................... S6-1 4:20-4:40 Gerald Diebold Thermal Diffusion Shock Waves ....................................................................................... S6-2 4:40-5:00 Bruce S. Hudson Inelastic Neutron Scattering and Periodic DFT Studies of Hydrogen ............................. S6-3 Bonded Structures 5:00-6:00 Discussion 7:00 Cash Bar and Dinner (provided by DOE) – Calvert AB Saturday, February 14, 2004 8:30-9:00 Continental Breakfast – Arundel C Session 7 9:00-9:20 Paul W. Bohn Molecular Aspects of Transport in Thin Films of Controlled Architecture...................... S7-1 9:20-9:40 Sheng Dai Novel separation processes via hierarchically structured materials and......................... S7-2 ionic liquids 9:40-10:00 George Guiochon Study of the Homogeneity of Adsorbent Surfaces ............................................................. S7-3 10:00-10:20 Frank Bright Studies of Solvation Processes in Supercritical Fluids..................................................... S7-4 10:20-10:50 Break 10:50-12:30 Discussion and Wrap Up 12:30 Adjourn 2004 DOE/BES Analysis Program Contractors’ Meeting Abstract Plenary Lecture 1 Abstract P-1 2004 DOE/BES Analysis Program Contractor´s Meeing Annapolis, Md., February 12-14 2004 Chemical analysis by optical and laser spectroscopy Sune Svanberg Department of Physics, Lund Institute of Technology, P.O. Box 118, S-221 00 Lund, Sweden [email protected] Optical spectroscopy, and in particular laser spectroscopy, provide many interesting possibilities