Search Results - "Shkrob, I. A"

Electron Localization in Liquid Acetonitrile by Shkrob, I. A, Sauer, M. C

“…Time-resolved one- and two-pulse laser dc photoconductivity has been used to observe two kinds of reducing species, anion-1 and anion-2, in liquid…”
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The Structure of the Hydrated Electron. Part 1. Magnetic Resonance of Internally Trapping Water Anions:  A Density Functional Theory Study by Shkrob, Ilya A

“…Density functional theory is used to rationalize magnetic parameters of hydrated electron trapped in alkaline glasses as observed using electron paramagnetic…”
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Geminate recombination of hydroxyl radicals generated in 200 nm photodissociation of aqueous hydrogen peroxide by Crowell, Robert A., Lian, Rui, Sauer, Myran C., Oulianov, Dmitri A., Shkrob, Ilya A.

“…The picosecond dynamics of hydroxyl radicals generated in 200 nm photoinduced dissociation of aqueous hydrogen peroxide have been observed through their…”
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Metastable Electrons, High-Mobility Solvent Anions, and Charge Transfer Reactions in Supercritical Carbon Dioxide by Shkrob, I. A, Sauer, M. C

“…Time-resolved dc photoconductivity has been used to observe quasifree electrons and solvent radical anions in supercritical CO2 (ρc ≈ 0.468 g/cm3; T c ≈ 31…”
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Magnetic resonance studies on radiation-induced point defects in mixed oxide glasses. II. Spin centers in alkali silicate glasses by Shkrob, Ilya A., Tadjikov, Boris M., Trifunac, Alexander D.

“…Irradiation of alkali silicate glasses results in the formation of metastable spin centers, such as oxygen hole centers (OHC 1 and OHC 2), silicon peroxy…”
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Magnetic resonance studies on radiation-induced point defects in mixed oxide glasses. I. Spin centers in B2O3 and alkali borate glasses by SHKROB, I. A, TADJIKOV, B. M, TRIFUNAC, A. D

“…Radiation-induced spin centers in vitreous boron trioxide and alkali borate glasses were studied using pulsed EPR. Electrons and holes in these glasses are…”
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The Structure of the Hydrated Electron. Part 2. A Mixed Quantum/Classical Molecular Dynamics Embedded Cluster Density Functional Theory:  Single−Excitation Configuration Interaction Study by Shkrob, Ilya A, Glover, William J, Larsen, Ross E, Schwartz, Benjamin J

“…Adiabatic mixed quantum/classical (MQC) molecular dynamics (MD) simulations were used to generate snapshots of the hydrated electron in liquid water at 300 K…”
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Ammoniated Electron as a Solvent Stabilized Multimer Radical Anion by Shkrob, Ilya A

“…The excess electron in liquid ammonia (“ammoniated electron”) is commonly viewed as a cavity electron in which the s-type wave function fills the interstitial…”
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Solvent Anions in Supercritical Carbon Dioxide:  Formation of Complexes with Polar Solutes by Shkrob, I. A, Sauer, M. C

“…It is shown that high-mobility multimer (CO2) n •- anions in supercritical (sc)-CO2 form stable complexes with water, aliphatic alcohols, alkyl halides, and…”
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Can a single molecule trap the electron? by Shkrob, Ilya A., Schlueter, John A.

“…The graphical abstract shows the anion radical of calix[4]cyclohexanol, which for all practical reasons is identical to a solvated electron. One macrocycle…”
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Reversible Reactions of Cycloalkane Solvent Holes. 1. Complexation of cis- and trans-Decalin•+ with Alcohols by Shkrob, I. A, Sauer, M. C, Trifunac, A. D

“…It is shown that solvent holes in cis- and trans-decalin form complexes with aliphatic alcohols that live 1−100 ns, depending on the solute and the solvent…”
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High Mobility Solvent Holes in Methylcyclohexane by Shkrob, I. A, Liu, A. D, Sauer, M. C, Trifunac, A. D

“…Using time-resolved dc photoconductivity, the migration patterns and reactions of solvent hole in liquid methylcyclohexane between 230 and 350 K have been…”
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Reversible Reactions of Cycloalkane Solvent Holes. 2. Scavenging of cis- and trans-Decalin•+ by Benzene by Shkrob, I. A, Sauer, M. C, Trifunac, A. D

“…Solvent holes in liquid cis- and trans-decalin form metastable complexes with benzene, which are probably solvation complexes of monomer radical cations of…”
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Photophysics of Hole Injection in Liquid Cycloalkanes by Shkrob, I. A, Sauer, M. C, Trifunac, A. D

“…In liquid cycloalkanes, single-photon excitation of solute radical cations leads to rapid transfer of a valence band electron and formation of a free solvent…”
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Time-resolved and modulation methods in the study of the effects of magnetic fields on the yields of free-radical reactions by Batchelor, S. N, Kay, C. W. M, McLauchlan, K. A, Shkrob, I. A

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Hole Injection and Formation of Polarons in Cycloalkane Liquids by Shkrob, I. A, Liu, A. D, Sauer, M. C, Schmidt, K. H, Trifunac, A. D

“…In several cycloalkanes, ionization of the solvent or photoexcitation of a solute radical cation results in the formation of rapidly hopping solvent holes…”
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Reversible Hole Trapping in Liquid Cyclohexane by Shkrob, I. A, Liu, A. D, Sauer, M. C, Schmidt, K. H, Trifunac, A. D

“…Mobile solvent holes in cyclohexane can be reversibly trapped by methylcyclohexane (ΔG° = −0.11 eV), 1,1-dimethylcyclopentane (ΔG° = −0.20 eV),…”
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Electron Transfer from Cyclohexane to Photoexcited Aromatic Ions. Generation and Kinetics of High-Mobility Solvent Holes by Shkrob, I. A, Sauer, M. C, Schmidt, K. H, Liu, A. D, Yan, J, Trifunac, A. D

“…In cyclohexane solutions, aromatic radical cations are produced by two-photon (248 nm) photoionization of aromatic molecules. A novel excited state chemistry…”
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Free radical induced oxidation of alkoxyphenols : some insights into the processes of photoyellowing of papers by SHKROB, I. A, DEPEW, M. C, WAN, J. K. S

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Electron Trapping by Polar Molecules in Alkane Liquids:  Cluster Chemistry in Dilute Solution by Shkrob, Ilya A, Sauer, Myran C

“…Experimental observations are presented on condensed-phase analogues of gas-phase dipole-bound anions and negatively charged clusters of polar molecules. Both…”
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