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Search Publications by: Jeffrey W. Hudgens (Assoc)

Displaying 26 - 48 of 48

Gold cluster formation with phosphine ligands: Etching as a synthetic pathway for size-selective small clusters?

March 7, 2011

Author(s)

John M. Pettibone, Jeffrey W. Hudgens

Triphenylphosphine (PPh3) is commonly used during syntheses of stable closed-shell monolayer protected clusters (MPCs). Models of transition metal (TM) cluster and nanoparticle syntheses commonly assign PPh3 a passive role as a chemical placeholder

Synthetic Approach for Tunable, Size-Selective Formation of Monodisperse, Diphosphine-Protected Gold Nanoclusters

August 10, 2010

Author(s)

John M. Pettibone, Jeffrey W. Hudgens

Most nanoparticle syntheses, including those based on the Brust-Schiffrin method, produce a mixture of different metal core sizes. This report presents a new strategy for controlling the size and dispersity of ultra-small nanoclusters through selection of

Identification of Active Sites of Biomolecules II: Saccharide and Transition Metal ion in Aqueous Solution

February 23, 2009

Author(s)

Orkid Coskuner, Denis E. Bergeron, Luis C. Rincon, Jeffrey W. Hudgens, Carlos A. Gonzalez

We discuss the coordination mechanism of FeIII and methyl-a-mannopyranoside in aqueous solution using a recently presented integrated approach comprising ab initio electronic structure calculations, molecular dynamics simulations, and mass spectrometric

Ligand Exchange Reactions in the Formation of Diphosphine-Protected Gold Clusters

August 14, 2008

Author(s)

Denis E. Bergeron, Orkid Coskuner, Jeffrey W. Hudgens, Carlos A. Gonzalez

Electrospray ionization mass spectrometry is employed to study the formation of L3- and L5-protected gold clusters (L3 = 1,3-Bis(diphenylphosphino)propane; L5 = 1,5-Bis(diphenylphosphino)pentane), and it is found that molecular complexes in which Au+ is

Glycosidic Linkage Conformation of Methyl-alpha-Mannopyranoside

July 31, 2008

Author(s)

Orkid Coskuner, Denis E. Bergeron, Luis C. Rincon, Jeffrey W. Hudgens, Carlos A. Gonzalez

We study the preferred conformation of the glycosidic linkage of methyl--mannopyranoside in the gas phase and in aqueous solution. Results obtained utilizing Car Parrinello molecular dynamics (CPMD) simulations are compared to those obtained from

Impact of Swapping Ethyl for Phenyl Groups on Diphosphine-Protected Undecagold

September 1, 2007

Author(s)

Justin Golightly, Lin Gao, A W. Castleman, Denis E. Bergeron, Jeffrey W. Hudgens, Rudolph Magyar, Carlos A. Gonzalez

1,3-Bis(diethylphosphino)propane (depp) protected gold clusters are synthesized and studied via electrospray ionization mass spectrometry. An undecagold cluster, [Au11(depp)4Cl2]+, is observed under soft ionization conditions, and is found to persist in

Ligand Dissociation and Core Fission from Diphosphine Protected Gold Clusters

May 19, 2007

Author(s)

Denis E. Bergeron, Jeffrey W. Hudgens

Highly monodisperse samples of diphosphine ligand (1,3-Bis(diphenylphosphino)propane or 1,5-bis(diphenylphosphino)pentane) protected gold nanoparticles form rapidly in a mixed methanol/chloroform solvent environment. Methanol soluble octagold, decagold

Chlorination Chemistry 4. Ab Initio Study of the Addition, Metathesis, and Isomerization Channels Governing the Reaction of Chlorine Atom with Propargyl Chloride

June 1, 2002

Author(s)

Jeffrey W. Hudgens, Carlos A. Gonzalez

Highly correlated ab initio molecular orbital calculations have been used to map out the potential energy surface corresponding to the reaction of Cl + propargyl chloride (C 3H 3Cl) in the gas phase. Nine transition state structures governing the mechanism

Chlorination Chemistry. 3. Ab Initio Study of the Reaction of Chlorine Atom with Allene

February 2, 2002

Author(s)

Jeffrey W. Hudgens, Carlos A. Gonzalez

Highly correlated ab initio molecular orbital calculations have been used to map out the potential energy surface of the Cl + allene reaction in the gas phase. Seven transition state structures governing the mechanism of the title reaction were computed at

Electronic Structure of BC1 Determined by ab Initio Calculations and Resonance-Enhanced Multiphoton Ionization Spectroscopy

March 14, 2000

Author(s)

Karl K. Irikura, Russell D. Johnson III, Jeffrey W. Hudgens

The mass-resolved, one-color, 2 + 1 resonance-enhanced multiphoton ionization spectrum of transient boron monochloride (BC1) between 348 nm and 369 nm is reported. Vibrational and rotational bands of the ^10^B^35^C1, ^11^B^35^C1, ^10^B^37^C1, and ^11^B^37

Chlorination Chemistry. 2. Rate Coefficients, Reaction Mechanism, and Spectrum of the Chlorine Adduct of Allene

January 12, 2000

Author(s)

D B. Atkinson, Jeffrey W. Hudgens

Cavity ring-down (CRD) spectroscopy and ab initio calculations have determined the reaction rate coefficients, mechanism, and thermochemistry relevant to the addition of a chlorine atom to allene. Chlorine atoms were produced by laser photolysis at 351 nm

Chlorination Chemistry I: Rate Coefficients, Reaction Mechanisms, and Spectra of the Chlorine and Bromine Adducts of Propargyl Halides

September 16, 1999

Author(s)

D B. Atkinson, Jeffrey W. Hudgens

Cavity ring-down spectroscopy (CRDS), end-product analysis, and ab initio calculations have determined the reaction rate coefficients, mechanisms and thermochemistry relevant to the addition of halogen atoms to propargyl chloride and propargyl bromide

Kinetic Studies of the Reactions of IO Radicals Determined by Cavity Ring-Down Spectroscopy

July 14, 1999

Author(s)

D B. Atkinson, Jeffrey W. Hudgens, A J. Orr-Ewing

We demonstrate the application of cavity ring-down spectroscopy (CRDS) to the measurement of concentrations of IO radical and of reaction rate coefficients for the reaction systems, IO+IO and IO+NO, using the source reaction, O( 3P)+CF 3I. By monitoring IO

Rate Coefficients for the Propargyl Radical Self-Reaction and Oxygen Addition Reaction Measured Using Ultraviolet Cavity Ring-Down Spectroscopy

May 1, 1999

Author(s)

D B. Atkinson, Jeffrey W. Hudgens

Using 193 nm laser photolysis and cavity ring-down spectroscopy to produce and monitor the propargyl radical (CH 2CCH), the self-reaction and oxygen termolecular association rate coefficients for the propargyl radical were measured at 298 K between total

Fourth International Conference on Chemical Kinetics

July 1, 1998

Author(s)

Robert E. Huie, Jeffrey W. Hudgens

The Fourth International Conference on Chemical Kinetics was held July 14-19, 1997, at the National Institute of Standards and Technology in Gaithersburg, MD. The conference was attended by 200 scientists from 21 countries. Topics discussed included small