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Creator | Title | Description | Subject | Date |
301 |
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Armentrout, Peter B. | Guided ion beam and theoretical study of the reactions of Au+ with H2, D2, and HD | Reactions of the late third-row transition metal cation Au+ with H2, D2, and HD are examined using guided ion beam tandem mass spectrometry. A flow tube ion source produces Au+ in its 1S (5d10) electronic ground state level. Corresponding state-specific reaction cross sections for forming AuH+ an... | | 2011 |
302 |
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Armentrout, Peter B. | Sequential bond energies and barrier heights for the water loss and charge separation dissociation pathways of Cd2+(H2O)n, n 3-11 | The bond dissociation energies for losing one water from Cd2+(H2O)n complexes, n=3?11, are measured using threshold collision-induced dissociation in a guided ion beam tandem mass spectrometer coupled with a thermal electrospray ionization source. Kinetic energy dependent cross sections are obtained... | | 2011 |
303 |
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Morse, Michael David | Detection of nonpolar lons in 2?3/2 States by Radioastronomy via Magnetic Dipole Transitions | The possibility of magnetic dipole-induced pure rotational transitions in the interstellar medium is investigated for symmetric Hund?s case (a) linear molecules, such as H-C?C-H+(X~2?3/2u), CO2+ (X~2?3/2g), H-C?C-?C-H+ (X~2?3/2g), and N3 (X~2?3/2g). These species lackan electric dipole moment and th... | | 2011 |
304 |
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Armentrout, Peter B. | Guided ion beam and theoretical study of the reactions of Os + with H 2, D 2, and HD | Reactions of the third-row transition metal cation Os+ with H2, D2, and HD to form OsH+ (OsD+) were studied using a guided ion beam tandem mass spectrometer. A flow tube ion source produces Os+ in its 6D (6s15d6) electronic ground state level. Corresponding state-specific reaction cross sections are... | | 2011 |
305 |
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Armentrout, Peter B. | Communication: Theoretical exploration of Au++ H2, D2, and HD reactive collisions | A quasi-classical study of the endoergic Au+(¹S) + H₂(X¹Σ+g) → AuH+ (²Σ+) + H(²S) reaction, and isotopic variants, is performed to compare with recent experimental results [F. Li, C. S. Hinton, M. Citir, F. Liu, and P. B. Armentrout, J. Chem. Phys. 134, 024310 (2011)]. For this purpose, a ... | | 2011 |
306 |
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Morse, Michael David | Spectroscopy of diatomic ZrF and ZrCl: 760 ? 555 nm | The optical spectrum of diatomic ZrF has been investigated, with transitions recorded in the range from 14 700 to 18 000 cm?1. Many bands have been observed, several of which can be grouped into three band systems. Rotationally resolved investigations are hampered by perturbations that are rampant ... | | 2011 |
307 |
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Armentrout, Peter B. | The simplest b 2 + ion: determining its structure from its energetics by a direct comparison of the threshold collision-induced dissociation of protonated oxazolone and diketopiperazine | Energy-resolved collision-induced dissociation of b2 + ions derived from protonated GGG and GAG are compared with that of protonated diketopiperazine (H+DKP). Absolute dissociation cross sections are obtained using a guided ion beam tandem mass spectrometer and analyzed using statistical methods. T... | | 2012 |
308 |
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Yang, Seung Ook | Construction of a protein-based nanoreactor using charge complementarity | | | 2012 |
309 |
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Armentrout, Peter B. | Fragmentation reactions of thiourea- and urea-compounds examined by tandem MS-, energy-resolved CID experiments, and theory | Fragmentation reactions of thiourea- and urea-compounds, which are promising reagents for chemical crosslinking (XL), are investigated in detail by collision-induced dissociation (CID) experiments in a quadrupole ion trap (QIT), energy-resolved CID experiments, and computational modeling. For this s... | | 2012-01-01 |
310 |
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Armentrout, Peter B. | Infrared multiple photon dissociation spectroscopy of protonated histidine and 4-phenyl imidazole | The gas-phase structures of protonated histidine (His) and the side-chain model, protonated 4-phenyl imidazole (PhIm), are examined by infrared multiple photon dissociation (IRMPD) action spectroscopy utilizing light generated by the free electron laser FELIX. To identify the structures present in t... | | 2012-01-01 |
311 |
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Armentrout, Peter B. | The simplest b2+ ion: determining its structure from its energetics by a direct comparison of the threshold collision-induced dissociation of protonated oxazolone and diketopiperazine | Energy-resolved collision-induced dissociation of b2 + ions derived from protonated GGG and GAG are compared with that of protonated diketopiperazine (H+DKP). Absolute dissociation cross sections are obtained using a guided ion beam tandem mass spectrometer and analyzed using statistical methods. Th... | | 2012-01-01 |
312 |
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Voth, Gregory Alan | Nanostructural organization in acetonitrile/ionic liquid mixtures: molecular dynamics simulations and optical Kerr effect spectroscopy | In this paper, the nanostructural organization and subpicosecond intermolecular dynamics in mixtures of acetonitrile and the ionic liquid (IL) 1-pentyl-3-methylimidazolium bis{(trifluoromethane)sulfonyl}amide ([C5mim][NTf2]) were studied as a function of concentration using molecular dynamics (MD) s... | | 2012-01-01 |
313 |
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Armentrout, Peter B. | Thermodynamics and mechanisms of protonated diglycine decomposition: a computational study | We present a full computational description of the fragmentation reactions of protonated diglycine (H+GG). Relaxed potential energy surface scans performed at B3LYP/6-31G(d) or B3LYP/6-311+G(d,p) levels are used to map the reaction coordinate surfaces and identify the transition states (TSs) and int... | | 2012-01-01 |
314 |
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Armentrout, Peter B. | Thermodynamics and mechanisms of protonated diglycine decomposition: a guided ion beam study | We present a full molecular description of fragmentation reactions of protonated diglycine (H+GG) by studying their collision-induced dissociation (CID) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Analysis of the kinetic energy-dependent CID cross sections provides the 0 K barr... | | 2012-01-01 |
315 |
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Minteer, Shelley D. | High performance glucose/O2 biofuel cell: effect of utilizing purified laccase with anthracene-modified multi-walled carbon nanotubes | Laccase, a blue multicopper oxidoreductase enzyme, is a robust enzyme that catalyzes the reduction of oxygen to water and has been shown previously to perform improved direct electron transfer in a biocathode when mixed with anthracene-modified multi-walled carbon nanotubes. Previous cathode constru... | | 2012-01-01 |
316 |
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Armentrout, Peter B. | Alkali metal cation interactions with 12-crown-4 in the gas phase: revisited | Quantitative interactions of alkali metal cations with the cyclic 12-crown-4 polyether ligand (12C4) are studied. Experimentally, Rb+(12C4) and Cs+(12C4) complexes are formed using electrospray ionization and their bond dissociation energies (BDEs) determined using threshold collision-induced dissoc... | | 2012-01-01 |
317 |
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Minteer, Shelley D. | Bio-solar cells incorporating catalase for stabilization of thylakoid bioelectrodes during direct photoelectrocatalysis | Thylakoid membranes have been proposed for electrochemical solar energy conversion, but they have been plagued with short term instability. In this paper, thylakoid membranes extracted from Spinacia oleracea were physically adsorbed onto Toray paper electrodes with and without catalase, followed by ... | | 2012-01-01 |
318 |
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Armentrout, Peter B. | Role of methylation on the thermochemistry of alkali metal cation complexes of amino acids: N-methyl proline | Quantitative thermodynamic information is obtained from the study of the gasphase interactions of the alkali metal cation complexes of N-methyl proline (NMP) with Xe using a guided ion beam tandem mass spectrometer (GIBMS). Absolute bond dissociation energies (BDEs) of M+ = Li+, Na+, K+, and Rb+ to ... | | 2012-01-01 |
319 |
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Song, Bin; Molinero, Valeria | Thermodynamics and structural signatures of methane-methane in monatomic water | | | 2013 |
320 |
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Minteer, Shelley D. | Nickel-DNA complexes: bioelectrocatalysis or not? | Alkaline fuel cells (AFC) are low temperature, quick-to-start devices that can achieve 50% operating efficiency. Low cost alternatives to platinum group electrocatalysts, which allow for direct reformation are desired. Nickel electrocatalysts are highly active in alkaline for the oxidation of fuels.... | | 2013-01-01 |
321 |
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Minteer, Shelley D. | Utilizing DNA for electrocatalysis: DNA-Nickel aggregates as anodic electrocatalysts for methanol, ethanol, glycerol, and glucose | DNA-nickel aggregates were electrodeposited onto glassy carbon electrode surfaces and have shown electrocatalytic activity for oxidation of methanol, ethanol, glycerol, and glucose at room temperature in alkaline solutions. Bulk electrolysis oxidation products identified by 13C NMR include carbonate... | | 2013-01-01 |
322 |
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Armentrout, Peter B. | The bond energy of ReO+: Guided ion-beam and theoretical studies of the reaction of Re+ (7S) with O2 | The kinetic-energy dependence of the Re+ + O2 reaction is examined using guided ion-beam mass spectrometry. The cross section for ReO+ formation from ground state Re+ (7S) is unusual, exhibiting two endothermic features. The kinetic energy dependence for ReO+ formation is analyzed to determine D0(Re... | | 2013-01-01 |
323 |
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Minteer, Shelley D. | In recognition of Adam Heller and his enduring contributions to electrochemistry | Recent progress in diverse scientific fields ranging from bioelectrochemistry to battery technology to photoconversion has been deeply influenced by the contributions of Professor Adam Heller of the University of Texas at Austin to electrochemistry and materials science. This focus issue recognizes ... | | 2014-01-01 |
324 |
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Minteer, Shelley D. | Improved performance of a thylakoid bio-solar cell by incorporation of carbon quantum dots | Carbon quantum dots (CQDs) were incorporated into thylakoid bioanodes capable of direct photobioelectrocatalysis in order to increase the photocurrent generation. More thylakoids are in contact with the increased surface area which allows for greater direct electron transfer (DET). Additionally, the... | | 2014-01-01 |
325 |
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Minteer, Shelley D. | Nickel cysteine complexes as anodic electrocatalysts for fuel cells | Compared to platinum, nickel is an inexpensive catalyst that can oxidize methanol in alkaline media. There is a desire to increase nickel loading during electrodeposition for improved performance. In this paper, a nickel cysteine complex (NiCys) is used as the precursor for electrodeposition on glas... | | 2014-01-01 |