 |
NDRL Radiation Chemistry Data Center |
Recent Papers in Radiation and Photochemistry |
12/06/96 |
# 96_45 |
 |
|
|
|
Kinetics of the proton transfer in X center dot center dot center dot(H2O)(4) cluster (X=H2O, NH3, H2S, and HCl): Evidence of a concerted mechanism.
Planas, M.; Lee, C.; Novoa, J.J.
Journal of Physical Chemistry 100(41): 16495-16501(1996).
ammonia/hydrogen sulfide/hydrochloric acid/water/molecular orbital calculation/proton transfer
Absolute kinetics of alkoxychlorocarbene fragmentation.
Moss, R.A.; Ge, C.S.; Maksimovic, L.
Journal of the American Chemical Society 118(40): 9792-9793(1996).
diazirines/pyridine/carbenes/ylides/liquid/flash photolysis/fragmentation/specific rates
Studies of spin relaxation and molecular dynamics in liquid crystals by two-dimensional Fourier transform electron spin resonance .1. Cholestane in butoxy benzylidene-octylaniline and dynamic cage effects.
Sastry, V.S.S.; Polimeno, A.; Crepeau, R.H.; Freed, J.H.
Journal of Chemical Physics 105(14): 5753-5772(1996).
steroids/nitroxide radicals/liquid crystals/esr techniques/relaxation time/relaxation processes/rotational diffusion/temperature effects
Studies of spin relaxation and molecular dynamics in liquid crystals by two-dimensional Fourier transform electron spin resonance .2. Perdeuterated-tempone in butoxy benzylidene octylaniline and dynamic cage effects.
Sastry, V.S.S.; Polimeno, A.; Crepeau, R.H.; Freed, J.H.
Journal of Chemical Physics 105(14): 5773-5791(1996).
nitroxide radicals/liquid crystals/esr techniques/relaxation time/relaxation processes/rotational diffusion/temperature effects
Electron-spin resonance studies of the titanium cation (Ti+,3d(3),F-4) in rare gas matrices at 4 K: A crystal field interpretation.
Knight, L.B.; Keller, K.A.; Babb, R.M.; Morse, M.D.
Journal of Chemical Physics 105(13): 5331-5340(1996).
titantium/argon/neon/radical cations/solid/temperature 0-76 K/photolysis/X-rays/esr techniques/esr spectra/g-tensor/hyperfine tensor/matrix effects
Dynamic processes of 1,1'-dihydroxy-2,2',6,6'-tetra-tert-butylbiphenyl radical cation in sulfuric acid as studied by two-dimensional FT-EPR spectroscopy.
Kababya, S.; Bilkis, I.; Goldfarb, D.
Journal of the American Chemical Society 118(40): 9680-9690(1996).
biphenyls, substituted/sulfuric acid/radical cations/liquid/esr techniques/decay time/esr spectra/line width/relaxation time/
CIDEP study on the flash photolysis of benzoin included in beta-cyclodextrin.
Kitahama, Y.; Murai, H.
Chemical Physics Letters 261(1-2): 160-164(1996).
benzoin/cyclodextrins/hydroxyaryl radicals/aqueous solution/flash photolysis/esr techniques/esr spectra/CIDEP/relaxation time/spin-lattice interaction
Electron spin resonance rare gas matrix studies of (CO2-)-C-12, (CO2-)-C-13, and (CO2-)-O-17: Comparison with ab initio calculations.
Knight, L.B.; Hill, D.; Berry, K.; Babb, R.; Feller, D.
Journal of Chemical Physics 105(14): 5672-5686(1996).
carbon dioxide/argon/neon/carboxyl radical ion/isotopes/carbon/oxygen/solid/temperature 0-77 K/photolysis/radiolysis/X-rays/electrons/esr techniques/g tensor/hyperfine tensor/molecular orbital calculations/structure
High-frequency electron paramagnetic resonance spectroscopy of the apogalactose oxidase radical.
Gerfen, G.J.; Bellew, B.F.; Griffin, R.G.; Singel, D.J.; Ekberg, C.A.; Whittaker, J.W.
Journal of Physical Chemistry 100(41): 16739-16748(1996).
enzymes/tyrosine/hydroxyaryl radicals/esr techniques/molecular orbital calculation/esr spectra/radical structure/g tensor/hyperfine tensor/
Reaction of phenyllithium with 3,5-di-tert-butyl-o-benzoquinone (TBQ) and structure of Li+(TBSQ(center dot-)) in solution.
Brown, M.A.; McGarvey, B.R.; Ozarowski, A.; Tuck, D.G.
Journal of the American Chemical Society 118(40): 9691-9694(1996).
quinones/benzene/lithium/semiquinones/biphenyl/liquid/solid/esr techniques/esr spectra/g tensor/zero field splitting/hyperfine structure
Glycylglycine pi->pi* acid charge transfer transition moment orientations: Near-resonance Raman single-crystal measurements.
Pajcini, V.; Chen, X.G.; Bormett, R.W.; Geib, S.J.; Li, P.S.; Asher, S.A.; Lidiak, E.G.
Journal of the American Chemical Society 118(40): 9716-9726(1996).
glycine/peptides/single crystals/absorption spectra/Raman spectra/diffraction/crystal structure/charge transfer
Short-time photodissociation dynamics of A-band and B-band bromoiodomethane in solution: An examination of bond selective electronic excitation.
Man, S.Q.; Kwok, W.M.; Phillips, D.L.; Johnson, A.E.
Journal of Chemical Physics 105(14): 5842-5857(1996).
methane/halocarbons/bromine/iodine/liquid/photolysis/absorption spectra/Raman spectra/vibrational states/dissociation
Spectral hole-burning and magnetic circular dichroism of matrix-isolated copper phthalocyanine.
Dunford, C.L.; Williamson, B.E.; Schatz, P.N.; Gasyna, Z.; Krausz, E.; Riesen, H.
Chemical Physics Letters 260(5-6): 522-528(1996).
phthalocyanines/copper/argon/solid/temperature 0-76 K/matrix isolation/MCD/hole burning/triplet states/charge transfer/charge neutralization
Energy transfer in dendritic macromolecules: Molecular size effects and the role of an energy gradient.
Devadoss, C.; Bharathi, P.; Moore, J.S.
Journal of the American Chemical Society 118(40): 9635-9644(1996).
alkylbenzenes/perylenes, substituted/methylene chloride/liquid/kinetic spectrophotometry/absorption spectra/emission spectra/extinction coefficients/luminescence yields/lifetime/energy transfer
Resonance Raman examination of the electronic excited states of glycylglycine and other dipeptides: Observation of a carboxylate->amide charge transfer transition.
Chen, X.G.; Li, P.S.; Holtz, J.S.W.; Chi, Z.H.; Pajcini, V.; Asher, S.A.; Kelly, L.A.
Journal of the American Chemical Society 118(40): 9705-9715(1996).
glycine/peptides/aqueous solution/absorption spectra/Raman spectra/pH effects/charge transfer
Femtosecond vibrational dynamics and relaxation in the core light-harvesting complex of photosynthetic purple bacteria.
Chachisvilis, M.; Sundstrom, V.
Chemical Physics Letters 261(1-2): 165-174(1996).
photosynthesis/purple membranes/reaction centers/solid/temperature 77K/flash photolysis/bleaching/energy transfer/relaxation processes
Measurement of temperature-independent femtosecond interfacial electron transfer from an anchored molecular electron donor to a semiconductor as acceptor.
Burfeindt, B.; Hannappel, T.; Storck, W.; Willig, F.
Journal of Physical Chemistry 100(41): 16463-16465(1996).
perylenes, substituted/titanium/oxides/solid/temperature 0-76K/flash photolysis/kinetic spectroscopy/emission spectra/absorbance spectra/kinetics/electron transfer
Increasing the heavy atom effect of xenon by adsorption to zeolites: Photolysis of 2,3-diazabicyclo[2.2.2]oct-2-ene.
Anderson, M.A.; Grissom, C.B.
Journal of the American Chemical Society 118(40): 9552-9556(1996).
heterocyclic N/zeolites/rare gases/biradicals/solid/photolysis/fluorescence/product analysis/intersystem crossing/pressure effects/
Photodissociation of methylazide: Observation of triplet methylnitrene radical.
Ying, L.M.; Xia, Y.; Shang, H.R.; Zhao, X.S.; Tang, Y.Q.
Journal of Chemical Physics 105(14): 5798-5805(1996).
azides/nitrenes/gas/photolysis/kinetic spectroscopy/emission spectra/decay time/rearrangements/fragmentation
Solvent effects on non-resonant vibrational deactivation: N-2(upsilon=1) deactivated by CH4 in liquid Ar/liquid N-2 mixtures.
Turnidge, M.L.; Simpson, C.J.S.M.
Chemical Physics Letters 260(5-6): 519-521(1996).
nitrogen/methane/argon/liquid/temperature 77 K/excited states/energy transfer/rates, specific
Mechanisms for the expulsion of propene from ionized propyl phenyl ethers in the gas phase.
Traeger, J.C.; Morton, T.H.
Journal of the American Chemical Society 118(40): 9661-9668(1996).
ethers/phenols/alkenes/radical cations/photoionization/gas/mass spectrometry/yields, relative/fragmentation/rearrangements/alkene formation
Ultraviolet photodissociation of the HCCO radical studied by fast radical beam photofragment translational spectroscopy.
Mordaunt, D.H.; Osborn, D.L.; Choi, H.; Bise, R.T.; Neumark, D.M.
Journal of Chemical Physics 105(14): 6078-6081(1996).
ketene/radicals, oxygen/gas/photolysis/dissociation/bond dissociation energy/yields, relative/cross sections
Investigation of the photoelectrochemistry of C-60 and its pyrrolidine derivatives by monolayer-modified SnO2 electrodes.
Luo, C.P.; Huang, C.H.; Gan, L.B.; Zhou, D.J.; Xia, W.S.; Zhuang, Q.K.; Zhao, Y.L.; Huang, Y.Y.
Journal of Physical Chemistry 100(41): 16685-16689(1996).
fullerenes/pyrrolidines/titanium/oxides/water/films/photoelectrochemistry/photocurrent/redox potentials/quantum yields
Temperature dependent kinetics of the picosecond bimolecular reaction between S-1 trans-stilbene and carbon tetrachloride: Is the ultrafast photochemical reaction diffusion-controlled?
Iwata, K.; Hamaguchi, H.
Chemical Physics Letters 261(1-2): 208-212(1996).
stilbene/carbon tetrachloride/singlet states/liquid/emission spectra/kinetic spectroscopy/rates, specific/diffusion processes
Time-resolved spectroscopic study of the initial process of photopolymerization in a diacetylene crystal.
Itoh, C.; Kondoh, T.; Tanimura, K.
Chemical Physics Letters 261(1-2): 191-194(1996).
polydiacetylene/excited states/single crystals/temperature 0-76K/pulse radiolysis/absorption spectra/emission spectra/kinetic spectrascopy/lifetime/
Radical addition of 2-propanol to trifluoroethylene. Preparation of trifluoroethylene oligomers from chlorotrifluoroethylene oligomers.
Fikar, J.; Trska, P.; Pech, P.; Liska, F.
Collection of Czechoslovak Chemical Communications 61(8): 1215-1222(1996).
2-propanol/ethylene/fluorocarbons/amines/liquid/photolysis/adduct formation/reduction
Calculation of electron transfer rate constants from spectra in Re(I) chromophore-quencher complexes.
Claude, J.P.; Williams, D.S.; Meyer, T.J.
Journal of the American Chemical Society 118(40): 9782-9783(1996).
Rhenium/pyridines/charge-transfer complexes/CCTL/liquid/flash photolysis/electrochemistry/redox potentials/rates, specific
Tether-enforced reversal of regioselectivity: Head-to-head [4+4] photocycloaddition of 2-pyridones.
Sieburth, S.M.; Siegel, B.
Chemical Communications(19): 2249-2250(1996).
pyridones/methanol/liquid/photolysis/nmr techniques/chromatography/cycloaddition/steric effects/synthesis
PET-Oxidative cyclization of unsaturated silyl enol ethers, regioselective control by solvent effects.
Hintz, S.; Frohlich, R.; Mattay, J.
Tetrahedron Letters 37(41): 7349-7352(1996).
enol ethers/silicon compounds/anthracenes, substituted/photolysis/chromatography/electron transfer/cyclization
Solvent reorganization as a governing factor in the kinetics of intramolecular dissociative electron transfers. Cleavage of anion radicals of alpha-substituted acetophenones.
Andrieux, C.P.; Saveant, J.M.; Tallec, A.; Tardivel, R.; Tardy, C.
Journal of the American Chemical Society 118(40): 9788-9789(1996).
benzophenones, substituted/radical anions/liquid/electrochemistry/redox potentials/bond cleavage/rates, specific/free energy
Oxidations by the reagent O-2-H2O2-vanadium complex-pyrazine-2-carboxylic acid .7. Hydroperoxidation of higher alkanes.
Shulpin, G.B.; Guerreiro, M.C.; Schuchardt, U.
Tetrahedron 52(41): 13051-13062(1996).
pyrazines/hydrogen peroxide/oxygen/vanadium/alkanes/acetonitrile/peroxides, organic/hydroxyl radical/liquid/photolysis/chromatography/peroxide formation/mechanism
Ab initio and RRKM calculations for multichannel rate constants of the C2H3+O-2 reaction.
Mebel, A.M.; Diau, E.W.G.; Lin, M.C.; Morokuma, K.
Journal of the American Chemical Society 118(40): 9759-9771(1996).
vinyl radical/oxygen/molecular orbital calculations/RRKM method/mechanism/rates, specific
Solvent dynamics: Modified Rice-Ramsperger-Kassel-Marcus theory .2. Vibrationally assisted case.
Marcus, R.A.
Journal of Chemical Physics 105(13): 5446-5454(1996).
RRKM method/solvent effects/vibrational states
Recalibration of two earlier potential energy surfaces for the CH4+H->CH3+H-2 reaction. Application of variational transition-state theory and analysis of the kinetic isotope effects using rectilinear and curvilinear coordinates.
EspinosaGarcia, J.; Corchado, J.C.
Journal of Physical Chemistry 100(41): 16561-16567(1996).
methane/methyl radical/hydrogen/hydrogen atoms/calculation methods/potential energy curves/rates, specific/isotope effects
Spin densities and polymerizabilities of aniline derivatives deduced from density functional calculations.
DAprano, G.; Proynov, E.; Leboeuf, M.; Leclerc, M.; Salahub, D.R.
Journal of the American Chemical Society 118(40): 9736-9742(1996).
aniline/radical cations/molecular orbital calculations
A theory for the quantum activated rate constant in dissipative systems.
Cao, J.S.; Voth, G.A.
Chemical Physics Letters 261(1-2): 111-116(1996).
theoretical/kinetics/calculation methods
Ultrafast transient absorption spectroscopy of the hydrated electron: A theory.
Bratos, S.; Leicknam, J.C.
Chemical Physics Letters 261(1-2): 117-122(1996).
hydrated electron/theoretical/flash photolysis/absortion spectra/kinetic spectrophometry