ke A
1
r ro
w h ead
Ion Chemistry Conference
La
1998 Conference on Ion Chemistry and Mass Spectrometry
January 23–25, 1998
UCLA, Conference Center Lake Arrowhead, California
Schedule of Presentations
Friday , January 23
3:30 PM
CHECK-IN AND ROOM ASSIGNMENTS
6:30-7:30
DINNER
SESSION I
7:40 - 8:05
Presider: Paul G. Wenthold
“The Influence of Vibration and Collision Energy on the Reaction of Ammonia
Ions with Water Molecules.”, Michael A. Everest, John C. Poutsma and Richard N. Zare,
Stanford University, Stanford, CA.
8:05 - 8:30
“Importance of the Geometry and Electronic Structure in the Reactivity of Fen+
Clusters with ND3.”, Rohana Liyanage, James B. Griffin and Peter B. Armentrout, University
of Utah, Salt Lake City, UT.
8:30 - 8:55
“The Binding of B+ and Al+ to Small Ligands: Cluster assisted Sigma Bond
Activation and Other Issues.”, Paul Kemper, Patrick Weiss, John Bushnell and Michael T.
Bowers, University of California, Santa Barbara, CA.
8:55 - 9:20
“Ion-Molecule Studies of VS+.”, Chad Rue, I. Kretschmar, D. Schroder and P. B.
Armentrout, University of Utah, Salt Lake City, UT.
9:20 - 10:30
POSTER SESSION
2
Saturday, January 24
8:00 - 8:30
BREAKFAST
SESSION II
8:30 - 8:55
Presider: Mary T. Rodgers
“Chiral Differentiation in the Host Exchange Reaction of Cyclodextrin
Complexes.”, Javier Ramirez, Fei He and C. B. Lebrilla, University of California, Davis, CA.
8:55 - 9:20
“Freeze-Dried Biomolecules: FT-ICR Studies of the Specific Solvation of Ions
Observed by the Slow Evaporation of Water from Hydrated Peptides and Model Compounds.”,
Sang-Won Lee, Patrick Freivogel, Thomas Schindler and J. L. Beauchamp, California Institute
of Technology, Pasadena, CA.
9:20 - 9:45
“New Results in Gas-Phase Host-Guest Chemistry.”, David V. Dearden,
Brigham Young University, Provo, UT.
9:45 - 10:10 “Evaporation of Water from Biomolecules and Hydration Enthalpies of Doubly
Charged Metal Ions Measured by Blackbody Infrared Radiative Dissociation.”, Sandra E.
Rodriguez-Cruz, Rebecca A. Jockusch and Evan R. Williams, University of California,
Berkeley, CA.
10:10 - 10:20 BREAK
10:20 - 10:45 “Fundamental Studies of the Mechanism of Electrospray Mass Spectrometry.”,
Jim Smith, Richard C. Flagan and J. L. Beauchamp, California Institute of Technology,
Pasadena, CA.
10:45 - 11:10 “The Latest News in Conformations of Small Biopolymers: Salt Bridges and H/D
Exchange.”, Thomas Wyttenbach, John Bushnell and Michael T. Bowers, University of
California, Santa Barbara, CA.
11:10 - 11:35 “Hydrogen-Deuterium Exchange of the [M-H]- Ions of 5’-Monophosphate
Nucleotides with D2O or D2S.”, Michael A. Freitas, Stone D. -H. Shi, Christopher L.
Hendrickson and Alan G. Marshall, Florida State University, Tallahassee, FL.
11:35 - 12:00 “A Differentially Heated Capillary for the Dissociation of Gas-Phase Inclusion
Complexes.”, Fei He, Javier Ramirez and C. B. Lebrilla, University of California, Davis, CA.
12:00 - 2:30 LUNCH AND FREE TIME
3
SESSION III
2:30 - 2:55
Presider: Seung Koo Shin
“Competitive Dissociation in the Low-Energy CID of n-Butylbenzene.”, F
Muntean and P. B. Armentrout, University of Utah, Salt Lake City, UT.
2:55 - 3:20
“Gas Phase Solvation of Li-X-Li+ (X = Cl, Br): Kinetics, Thermodynamics and
Structures.”, R. L. Jarek, S. Denson and S. K. Shin, University of California, Santa Barbara,
CA.
3:20 - 3:45
“Methane Activation by Late First Row Transition Metal Ions: the Role of the
Cyclopentadienyl Ligand.”, Petra van Koppen, Catherine J. Carpenter, Jason Perry, Patrick
Weiss, Paul Kemper and Michael T. Bowers, Department of Chemistry, University of California,
Santa Barbara, CA.
3:45 - 4:10
“Binding Energies of Palladium Carbonyl Cluster Anions Pd3(CO)n-.”, Vassil A.
Spasov and Kent M. Ervin, University of Nevada, Reno, NV.
4:10 - 4:20
BREAK
4:20 - 4:45
“Spin-Forbidden Proton Transfer Reactions in the Gas Phase.”, Gordon A.
Janaway, Michael L. Chabinyc, Meili Zhong, Geo. G. Gatev and John I. Brauman, Stanford
University, Stanford, CA.
4:45 - 5:10
Gas Phase Reactions of MCl+ (M = Ca, Sr, Ba) with Dioxane Derivatives:
Evidence of Regioselective Proton Loss in Cyclic Polyethers.”, T. D. Miles and S. K. Shin,
University of California, Santa Barbara, CA.
5:10 - 5:35
“Catalytic Oxidation of Carbon Monoxide by Platinum Cluster Anions.”, Yang
Shi and Kent M. Ervin, University of Nevada, Reno, NV.
5:35 - 6:00
“Relative Acidity of Alkanes Determined from Product Branching Ratios.” Jason
Wong and John I. Brauman, Stanford University, Stanford, CA.
6:30 - 8:00
DINNER
8:00 - 9:00
SATURDAY EVENING LECTURE: Peter B. Armentrout,
"Personal Perspectives on the Development of Guided Ion Beam Chemistry"
9:00 - 12:00 POSTER SESSION AND PARTY
4
5
Sunday, January 25
8:00 - 8:45
BREAKFAST
SESSION IV
8:45 - 9:10
Presider: David V. Dearden
“Dynamics, Structure and Energetics of Synthetic Polymers.”, Jennifer Gidden,
Joe Batka, Thomas Wyttenbach and Michael T. Bowers, Department of Chemistry, University of
California, Santa Barbara, CA.
9:10 - 9:35
“FT-ICR Studies of the Identification and Location of Sites of Posttranslational
Modification in Peptides; Phosphorylated Serine Residues.”, Patrick Freivogel, Sang-Won Lee
and J. L. Beauchamp, California Institute of Technology, Pasadena, CA.
9:35 - 10:00 “Atmospheric Heterogeneous Chemistry from a Single Particle Perspective.”,
Eric E. Gard, Michael J. Kleeman, Deborah S. Gross, Lara S. Hughes, Jonathan O. Allen,
Bradley D. Morrical, David P. Fergenson, Tas Dienes, Markus E. Gaelli, Robert J. Johnson,
Glen R. Cass and Kimberly A. Prather, University of California, Riverside, CA
10:00 - 10:10 BREAK
10:10 - 10:35 “Are Alkali Metal-Arginine Complexes Salt Bridges in the Gas Phase?”, Rebecca
Jockusch, William Price and Evan R. Williams, University of California, Berkeley, CA.
10:35 - 11:00 “Potential Energy Surfaces of Hydrogen Bonded Intermediates.”, Michael
Chabinyc and John I. Brauman, Stanford University, Stanford, CA.
11:00 - 11:25 “The Use of Collision-Induced Dissociation for Determination of Specific
Structural Motifs in Oligosaccharides - A Method for Complete Structural Elucidation in
Picomolar Levels.”, K. Tseng and C. B. Lebrilla, University of California, Davis, CA.
11:25 - 12:00 CHECK OUT
12:00 - 1:00 LUNCH AND DEPART
6
POSTERS:
1. “Analysis of Some Oxidized Nine-Carbon Alkenes with the LCQ Ion Trap Mass
Spectrometer", Kevin Crellin, Finnigan, San Jose, CA.
2. “Preliminary Results on a Linear Sector-TOF JEOL Tandem Mass Spectrometer.”, Jeffrey O.
Finch, Charles Martin, Arpad Somogyi and Vicki H. Wysocki, University of Arizona,
Tucson, AZ.
3. “Preliminary Results on a Linear Sector-TOF JEOL Tandem Mass Spectrometer.”, Jeffrey O.
Finch, Arpad Somogyi. Charles Martin and Vicki H. Wysocki, JEOL USA, Inc, Peabody,
MA.
4. “Steric Effects and SN2 Reactions”, Colleen K. Regan and John I. Brauman, Stanford
University, Stanford, CA.
5. “Hydrogen Atom Abstraction by S- as A Probe for Hydrocarbon Radical Thermochemistry.”,
Katarzyna Rempala and Kent M. Ervin, University of Nevada, Reno, NV.
6. “Proton Transfer Reactions in a Series of Alcohols.”, Vincent F. DeTuri, Moon Su, and
Kent M. Ervin, University of Nevada, Reno, NV.
7. “State Selected Studies of the Reactions of NH3+(ν1,ν2) with Simple Hydrides.”, John C.
Poutsma, Michael Everest and Richard N. Zare, Stanford University, Stanford, CA.
8. “Computational Studies of the Negative Ion of Trimethyleneethene.”, Paul G. Wenthold,
Texas Tech University, Lubbock, TX.
9. “Charge and Ligand Effects on the Reactivity of Metal Clusters.”, Christian Berg, Martin
Beyer, Uwe Achatz, Stefan Joos, Gereon Niedner-Schatteburg, and Vladimir E. Bondybey,
Institut fuer Physikalische und Theoretische Chemie, Technische Universitaet Muenchen,
Garching, Germany.
10. “Gas-Phase Ion Dissociations: MIKE Spectra and KER Distributions.”, Glenn Smith and
Julie Leary, University of California, Berkeley, CA.
11. “The Effect of an Internal Rotation on Dipole-Bound State Lifetimes.”, Joel M. Karty,
Gordon A. Janaway, Bettina C. Römer and John I. Brauman, Stanford University, Stanford,
CA.
7
PARTICIPANTS
Peter B. Armentrout
315 S. 1400 E. RM Dock
Department of Chemistry
University of Utah
Salt Lake City, UT 84112-0850
(801) 581-7885
FAX (801) 581-8433
armentrout@chemistry.utah.edu
Joe Baker
Department of Chemistry
University of California
Riverside, CA 92521
(909)
FAX (909)
Joe Batka
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2673
FAX (805) 893-8703
batka@gaucho.ucsb.edu
Jack Beauchamp
Department of Chemistry 127-72
California Institute of Technology
Pasadena, CA 91125
(626) 395-6525
FAX (626) 568-8641
jlbchamp@cco.caltech.edu
Patricia Beauchamp
Jet Propulsion Laboratory MS:306-438
4800 Oak Grove Drive
Pasadena, CA 91109-8099
(818) 354-0529
FAX (818) 393-4773
pbeaucha@pop.jpl.nasa.gov
Jacqueline Bennett
Department of Chemistry
University of California
Riverside, CA 92521
(909)
FAX (909)
Martin Beyer
Institut fuer Physikalische und Theoretische Chemie
Technische Universitaet Muenchen
Lichtenbergstrasse 4
85748 Garching, Germany
(089) 289-13426
FAX (089) 289-13418
mb@anionix.phys.chemie.tu-muenchen.de
Michael T. Bowers
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2893
FAX (805) 893-8703
bowers@chem.ucsb.edu
Mark Cancilla
Department of Chemistry
University of California
One Shields Avenue
Davis, CA 95616-5295
(530) 752-5504
FAX (530) 752-8995
cancilla@indigo.ucdavis.edu
Catherine J. Carpenter
Department of Chemistry
University of California
Santa Barbara, CA 93106
carpenter@chem.ucsb.edu
Michael Chabinyc
Department of Chemistry
Stanford University
Stanford, CA 94305-5080
(650) 723-0316
FAX (650) 725-0259
chabinml@chem.stanford.edu
Kevin Crellin
543 Woodward Blvd.
Pasadena, CA 91107
(408) 433-4800 x2143
FAX (408)
crellin@finnigan.com
Nancy Crellin
543 Woodward Blvd.
Pasadena, CA 91107
FAX
8
David V. Dearden
Department of Chemistry and Biochemistry
C100 Benson Science Building Brigham Young
University
Provo, UT 84602-5700
(801) 378-2355
FAX (801) 378-5474
dvdearde@chemdept.byu.edu
Vincent F. DeTuri
Chemistry Department, Mail Stop 216
University of Nevada
Reno, NV 89557
(702) 784-6041
FAX (702) 784-6804
deturi@chem.unr.edu
Kent M. Ervin
Department of Chemistry
University of Nevada
Reno, NV 89557
(702) 784-6676
FAX (702)
ervin@chem.unr.edu
Michael A. Everest
Department of Chemistry Box 147
Stanford University
Stanford, CA 94305
(650) 723-4332
FAX (650) 725-0259
mikus@leland.stanford.edu
Michael A. Freitas
Department of Chemistry
Florida State University
Tallahassee, FL 32306-3006
(850) 644-2048
FAX (850) 644-1366
freitas@magnet.fsu.edu
Patrick Freivogel
Department of Chemistry
California Institute of Technology
Pasadena, CA 91125
(626) 395-2778
FAX (626) 585-9021
freivoge@cco.caltech.edu
Eric Gard
Department of Chemistry
University of California
Riverside, CA 92521
(909) 787-7359
FAX (909) 787-4713
garderic@citrus.ucr.edu
Jennifer Gidden
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2673
FAX (805) 893-8703
gidden@chem.ucsb.edu
Fei He
Department of Chemistry
University of California
One Shields Avenue
Davis, CA 95616-5295
(530) 752-5504
FAX (530) 752-8995
he@indigo.ucdavis.edu
Richard L. Hunter
IonSpec Corporation
16 Technology Drive #122
Irvine, CA 92618
(714) 753-1202
FAX (714) 753-9121
rhunter@ionspec.com
Gordon A. Janaway
Department of Chemistry
Stanford University
Stanford, CA 94305
(650) 723-0316
FAX (650) 725-0259
janaway@leland.stanford.edu
Russell Jarek
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-4075
FAX (805) 893-4120
jarek@chem.ucsb.edu
Rebecca Jockusch
Department of Chemistry
University of California
Berkeley, CA 94720
(510) 642-6240
FAX (510) 642-8369
rjockusc@uclink4.berkeley.edu
Joel M. Karty
Department of Chemistry
Stanford University
Stanford, CA 94305
(650) 723-0316
9
FAX (650) 925-0259
jkarty@leland.stanford.edu
FAX (805) 893-4120
miles@chem.ucsb.edu
Paul Kemper
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2673
FAX (805) 893-8703
kemper@chem.ucsb.edu
Neil Morgan
c/o: Professor Mike Bowers
Department of Chemistry
University of California
Santa Barbara, CA 93106-9510
FAX
Carlito B. Lebrilla
Department of Chemistry
University of California
one Shields Avenue
Davis, CA 95616-5295
(530) 752-6364
FAX (530) 752-8995
cblebrilla@indigo.ucdavis.edu
Tom Morton
Department of Chemistry
University of California
Riverside, CA 92521
(909) 787-4735
FAX (909) 787-4713
morton@ucrac1.ucr.edu
Sang-Won Lee
Department of Chemistry
California Institute of Technology
Pasadena, CA 91125
(626) 395-2778
FAX (626) 585-9021
lsw@cco.caltech.edu
Rohana Liyanage
315 S. 1400 E. RM Dock
Department of Chemistry
University of Utah
Salt Lake City, UT 84112-0850
(801) 581-7901
FAX (801) 581-8433
rohana@chemistry.utah.edu
Charles Martin
JOEL USA, Inc.
11 Dearborn Ave.
Peabody, MA 01961
(978) 536-2273
FAX (978) 536-2208
martin@jeol.com
Phil Mayer
Department of Chemistry
University of California
Riverside, CA 92521
(909)
FAX (909)
Terrence D. Miles
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-4075
Feli Muntean
315 S. 1400 E. RM Dock
Department of Chemistry
University of Utah
Salt Lake City, UT 84112
(801) 581-7901
FAX (801) 581-8433
fmuntean@mail.physics.utah.edu
Peter O’Connor
IonSpec Corporation
16 Technology Drive #122
Irvine, CA 92618
(714) 753-1202
FAX (714) 753-9121
pete@ionspec.com
John C. Poutsma
Department of Chemistry
Stanford University
Stanford, CA 94305
(650) 723-4335
FAX (650) 725-0259
jpoutsma@leland.stanford.edu
Jason Perry
FAX
10
Javier Ramirez
Department of Chemistry
University of California
One Shields Avenue
Davis, CA 95616-5295
(530) 752-5504
FAX (530) 752-8995
ramirez@indigo.ucdavis.edu
Seung Koo Shin
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2339
FAX (805) 893-4120
skshin@chem.ucsb.edu
Colleen K. Regan
Department of Chemistry, Box 57
Stanford University
Stanford, CA 94305
(650) 723-0316
FAX (650) 725-0259
ckregan@leland.stanford.edu
Glenn Smith
Department of Chemistry
University of California
Berkeley, CA 94720
(510) 642-0701
FAX (510) 642-9295
gsmith@poquoid.cchem.berkeley.edu
Katarzyna Rempala
Chemistry Department, Mail Stop 216
University of Nevada
Reno, NV 89557
(702) 784-6041
FAX (702) 784-6804
krempala@chem.unr.edu
Jim Smith
Department of Chemistry
California Institute of Technology
Pasadena, CA 91125
(626) 395-4727
FAX (626) 585-9021
jnsmith@cco.caltech.edu
Mary T. Rodgers
5101 Cass Ave., 33 Chemistry
Department of Chemistry
Wayne State University
Detroit, MI 48202
(313) 577-2431
FAX (313) 577-8822
mrodgers@chem.wayne.edu
Arpad Somogyi
Department of Chemistry
University of Arizona
Tucson, AZ 85721
(520) 626-7272
FAX (520) 621-8407
asomogyi@aruba.ocit.arizona.edu
Sandra E. Rodriguez-Cruz
Department of Chemistry
University of California
Berkeley, CA 94720
(510) 642-6240
FAX (510) 642-8369
ser@spumoni.cchem.berkeley.edu
Chad Rue
315 S. 1400 E. RM Dock
Department of Chemistry
University of Utah
Salt Lake City, UT 84112-0850
(801) 581-7901
FAX (801) 581-8433
chad@chemistry.utah.edu
Yang Shi
Chemistry Department, Mail Stop 216
University of Nevada
Reno, NV 89557
(702) 784-6041
FAX (702) 784-6804
yshi@chem.unr.edu
Vassil A. Spasov
Chemistry Department, Mail Stop 216
University of Nevada
Reno, NV 89557
(702) 784-6041
FAX (702) 784-6804
spasov@chem.unr.edu
Ken Tseng
Department of Chemistry
University of California
One Shields Avenue
Davis, CA 95616-5295
(530) 752-5504
FAX (530) 752-8995
tseng@indigo.ucdavis.edu
Petra van Koppen
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2673
FAX (805) 893-8703
petra@chem.ucsb.edu
11
Travis Walkup
c/o: Professor Mike Bowers
Department of chemistry
University of California
Santa Barbara, CA 93106-9510
FAX
Paul Wenthold
Department of Chemistry and Biochemistry
Texas Tech University
Lubbock, TX 79409-1061
(806) 742-3088
FAX (806) 742-1289
wenthold@dorothy.chem.ttu.edu
Evan Williams
Department of Chemistry
University of California
Berkeley, CA 94720
(510) 643-7161
FAX (510) 642-8369
erw@socrates.berkeley.edu
Jason Wong
Department of Chemistry
Stanford University
Stanford, CA 94305
(650) 723-0316
FAX (650) 725-0259
jswong@leland.stanford.edu
Thomas Wyttenbach
Department of Chemistry
University of California
Santa Barbara, CA 93106
(805) 893-2673
FAX (805) 893-8703
wyttenbach@chem.ucsb.edu