Selected references:
83. |
L. I. Trakhtenberg |
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"Tunneling Transfer of Atomic Particles in Chemical and Biological Reactions: The Role of Intermolecular Vibrations..." |
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Journal of Physical Chemistry A, 2014, Vol. 88, No. 11, pp. 1837–1848
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82. |
, , |
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"Matrix reorganization with intramolecular tunneling of H
atom: Formic acid in Ar matrix" |
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M. V. Basilevsky and V. A. Tikhomirov |
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"Computation of the tunneling
H-transfer reaction kinetics in the fluorene
molecular crystal" |
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A. A. Fokeyev, A. S. Zyubin and L. I. Trakhtenberg |
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"The role of intermolecular vibrations and reorganization of a reaction system in tunneling reactions with H atom transfer. A Debye model for the medium" |
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M. V. Basilevsky and V. A. Tikhomirov |
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"Calculation of the kinetics of the photochemical reaction of
hydrogen atom transfer in a molecular crystal" |
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L. I. Trakhtenberg
and |
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"Pressure and Temperature Dependence of H-Atom Tunneling in the Debye Approximation. Barrier Preparation and Media Reorganization" |
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"Phonon spectrum of a fluorene
molecular crystal" |
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M. V. Basilevsky, G. V. Davidovich and A. I. Voronin
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|
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"The model of level broadening in condensed phase" |
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M. V. Basilevsky, G. V. Davidovich,
S. V. Titov, and A. I. Voronin |
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"Non-Markovian modification of the
golden rule rate expression" |
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L. I. Trakhtenberg, A. A. Fokeyev, S. P. Dolin, A. M. Mebel and S. H. Lin |
|
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"Temperature and pressure dependences of tunneling
rate constant: density-functional theory potential-energy surface for H-atom
transfer in the fluorene-acridine system." |
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L. I. Trakhtenberg, A. A. Fokeyev, S. P. Dolin, A. M. Mebel, and S. H. Lin |
|
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"Rate constant for H-atom tunneling
in the fluorene–acridine
system based on DFT potential energy surface" |
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L. I. Trakhtenberg |
|
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"Theory of Atom Tunneling
Reactions in the Solid Phase" |
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in Atom Tunneling
Phenomena in Physics, Chemistry and Biology, p. p. 33 |
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(Ed.: T. Miyazaki) Atomic, Optical and Plasma Physics, Springer |
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M. V. Basilevsky and M. V. Vener |
|
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"Theoretical investigations of proton and hydrogen atom transfer
in the condensed phase" |
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L. I. Trakhtenberg, A. A. Fokeev
and S. P. Dolin |
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"Hydrogen Atom Tunneling in a Fluorene–Acridine System:
Effect of the Reactant Reorganization" |
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I. Y. Chan, |
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"Pressure Studies of the Photodimerization
of Oriented Anthracene Pairs in a Dianthracene Crystal: Fast Tunneling
of a Heavy Particle" |
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L. I. Trakhtenberg, A. A. Fokeyev, S. P. Dolin |
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"Reagent Reorganization and Promotive
Modes in Barrier Preparation for H-Tunneling in Fluorene-Acridine System" |
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"Enthalpy Surfaces for Hydrogen Atom Transfer in a Molecular |
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G. K. Ivanov, M. A. Kozhushner and L. I. Trakhtenberg |
|
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"Theory of
temperature dependence of hydrogen tunneling
reactions" |
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V. A. Tikhomirov, A. V. Soudackov, M. V. Basilevsky,
et. al. |
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Russian J. Phys. Chem. 73, 270 (1999) |
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B. |
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"Deuterium Effect on the Pressure Coefficient of Tunneling Rate in the |
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L. I. Trakthenberg and V. L. Klochikhin |
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"Pressure and Temperature Effects on the Kinetics of Tunnel
Solid-State Reactions in the Acridine-Fluorene
System" |
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Chem. Phys. 232, 175 (1998) |
|
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B. Nickel, K. H. Grellmann, J. S. Stephan and P. J. Walla |
|
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"Keto-Enol Tautomerism
in the |
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Ber. Bunsenges. Phys. Chem. 102, 436 (1998) |
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B. |
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"Vibration-Assisted Intermolecular Hydrogen Tunneling
in Photoreactive Doped Molecular |
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L. I. Trakhtenberg and V. L. Klochikhin |
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"Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine/fluorene system" |
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H. P. Trommsdorff |
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"Photoinduced and Spontaneous Tunneling in Molecular Solids" |
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Advances in Chemical Physics Vol. 88, |
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E. I. Grigoriev and L. I. Trakthenberg |
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"Radiation-Chemical Processes in Solid Phase" |
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I. Y. Chan, M. S. Dernis, C. M. Wong, B. |
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"High Pressure Studies of the Acridine/Fluorene
Photoreaction: Vibration Assisted Tunneling" |
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L. Cuff and M. Kertesz |
|
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"Theoretical Prediction of the Vibrational
Spectrum of Fluorene and Planarized
Poly(p-phenylene)" |
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|
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V. A. Benderskii, D. E. Makarov
and C. A. Wight |
|
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"Chemical Dynamics at Low Temperatures" |
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Advances in Chemical Physics Vol. 88, |
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I. Y. Chan, C. M. Wong and D. Stehlik |
|
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"Pressure Dependence of the Low-Temperature Tunneling
Rate for the Hydrogen Transfer in Acridine-Doped Fluorene Crystals" |
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J. Chem Phys. 219, 187 (1994) |
|
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S. E. Bromberg, I. Y. Chan, D. E. Schilke and D. Stehlik |
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"High Pressure Studies of a Hydrogen-Transfer Photoreaction in a
Crystalline Solid: Acridine/Fluorene" |
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J. Chem Phys. 98, 6284 (1993) |
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B. |
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"Comment on 'Generalized Golden Rule Treatment of a Photochemical
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L. Lavtchieva and Z. Smedarchina |
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Chem Phys. 160, 211 (1992) |
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N. D. Sokolov and M. V. Vener |
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"Proton Tunneling Assisted by the
Intermolecular vibration Excitation in |
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Chem. Phys. 168, 29 (1992) |
|
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W. Al-Soufi, K. H. Grellmann and B. Nickel |
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J. Phys. Chem. 95, 10509 (1991) |
|
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W. Al-Soufi, K. H. Grellmann and B. Nickel |
|
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"Keto-Enol Tautomerization
of 2.(2´-Hydroxyphenyl)benzoazole
and 2-(2´-Hydroxy-4´methylphenyl)benzoazole in the |
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J. Phys. Chem. 95, 10503 (1991) |
|
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L. Lavtchieva and Z. Smedarchina |
|
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"Direct Estimate of the Electronic Coupling Driving the
Photochemical Proton Transfer in Acridine-Doped Fluorene Crystal" |
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Chem. Phys. Lett. 187, 506 (1991) |
|
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L Chantranupong and T. A. Wildman |
|
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"Golden-Rule Treatment of Hydrogen Abstraction by Photoexcited Acridine Guests in
Fluorene Single |
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L. Lavtchieva and Z. Smedarchina |
|
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"Generalized Golden Rule Treatment of a Photochemical |
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Chem. Phys. Lett. 184, 545 (1991) |
|
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Sh. V. Flomenblit, I. D. Mikheikin and L. I. Trakhtenberg |
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Dokl Akad. Nauk Phys. Chem. 320, 695 (1991) |
|
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N. Hoshi, S. Yamauchi and N. Hirota |
|
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"Temperature, Pressure and Deuterium Effects on the
Phosphorescence Decay-Rate Constant of Naphthalene in a Single |
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Chem. Phys. Lett. 169, 326 (1990) |
|
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L. I. Trakhtenberg, N. A. Slavinskaya and S. Ya. Pshezhetskii |
|
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"The Effect of Dynamic Properties of the Medium on the Kinetics
of Solid-State Radical Photodissociation
Processes" |
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Chem. Phys. 134, 127 (1989) |
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B. |
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"Intermolecular H-Tunneling in a |
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V. I. Goldanskii, V. A. Benderskii and L. I. Trakhtenberg |
|
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"Quantum Cryochemical Reactivity of
Solids" |
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Advances in Chemical Physics Vol. LXXV, 349 (1989) |
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B. |
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"Wasserstofftunneln und heterogene Photochemie in dotierten Molekülkristallen" |
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Thesis, Free University Berlin (1988) |
|
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N. Hoshi, S. Yamauchi and N. Hirota |
|
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"Photochemical Reaction of Quinoxaline
in a Single |
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J. Phys. Chem. 92, 6615 (1988) |
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B. |
|
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"Identification of the Lowest Energy Nuclear Fluctuation Mode
Promoting the Photochemical H-Transfer Tunneling
Reaction in Doped Fluorene Single |
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V. I. Goldanskii, V. N. Fleurov and L. I. Trakhtenberg |
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Sci. Rev. B. Chem. 9, 59 (1987) |
|
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L. I. Trakhtenberg and N. Ya. Shteinshneider |
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"Role of Orientational Vibrations in Solid-Phase Tunneling Reactions. Intermolecular Vibrations" |
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Russ. J. of Phys. Chem. 60, 841 (1986) |
|
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V. I. Goldanskii |
|
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"Quantum Chemical Reactions in the Deep Cold" |
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Scientific American 254, 46 (1986) |
|
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M. Tietje,
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"Tunneling in Photochemical |
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G. Bartel, A. Eychmüller and K. H. Grellmann |
|
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"Experimental Studies of Hydrogen Tunneling.
Utilization of Large Effects in a Mechanistic Study of a Hydrogen Shoft Reaction" |
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Chem. Phys. Lett. 118, 568 (1985) |
|
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M. Nack, M. Tietje,
A. Gutsze, J. P. Colpa,
B. |
|
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"Tunneling in the Formation and Decay
Kinetics of Photochemical H-Transfer in Aromatic Single |
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Proceed. of the XXIInd Congr. Amp., Zürich 357 (1984) |
|
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J. P. Colpa, B. |
|
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"Evidence for Tunneling as a Mechanism
for a Photochemical Hydrogen Transfer Reaction in Molecular |
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|
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W. Siebrand, T. A. Wildman and M. Z. Zgierski |
|
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"Golden Rule Treatment of Hydrogen-Transfer Reactions. 2. Applications" |
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W. Siebrand, T. A. Wildman and M. Z. Zgierski |
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"Golden Rule Treatment of Hydrogen-Transfer Reactions. 1. Principles" |
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R. E. Gerkin, A. P. Lundstedt
and W. J. Reppart |
|
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"Structure of Fluorene, C13H10
, at 159K" |
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D. De Vault |
|
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"Quantum Mechanical Tunneling in
Biological Systems" |
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Cambridge University Press, London (1984) |
|
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H.-M. Vieth |
|
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"Kinetics of Photochemical Hydrogen Abstraction in Doped Fluorene Crystals Studied by Timeresolved
Optical Nuclear Polarisation" |
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Chem. Phys. Lett. 103, 124 (1983) |
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B. |
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"Kinetics of Photochemical H-Abstraction by 3pp*-Acridine
in Fluorene Single |
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K.-H. Grellmann, H. Weller and E. Tauer |
|
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"Tunneleffect on the Kinetics of
2´-Methylacetophenone" |
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Chem. Phys. Lett. 95, 195 (1983) |
|
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W. Siebrand, T. A. Wildman and M. Z. Zgierski |
|
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"Temperature Dependence of Hydrogen Tunneling
Rate Constants" |
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Chem. Phys. Lett. 98, 108 (1983) |
|
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V. A. Benderskii, P. G. Philippov, Yu. I. Dakhnovskii and A. A. Ovchinnikov |
|
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"Low Temperature Chemical Reactions. 1. Models" |
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Chem. Phys. 67, 301 (1982) |
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B. |
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"Tripltt-Triplett-Absorption von Acridin in Fluoren-Einkristallen" |
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Diploma Thesis, Free University |
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L. I. Trakhtenberg, V. L. Klochikhin and S. Ya. Pshezhetskii |
|
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"Theory of Tunnel Transitions of Atoms in Solids" |
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Chem. Phys. 69, 121 (1982) |
|
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L. I. Trakhtenberg, V. L. Klochikhin and S. Ya. Pshezhetskii |
|
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"Tunneling of a Hydrogen Atom in Low
Temperature Processes" |
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Chem. Phys. 59, 191 (1981) |
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B. |
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"Triplet-Triplet Absorption Studies in Acridine
Doped Fluorene Single |
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V. A. Benderskii, V. I. Goldanskii and A. A. Ovchinnikov |
|
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"Effect of Molecular Motion on Low-Temperature and Other
Anomalously Fast Chemical Reactions in the Solid Phase" |
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Chem. Phys. Lett. 73, 492 (1980) |
|
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J. O. Alben, D. Breece, S. F. Bowne, L. Eisenstein, H. Frauenfelder. D. Good, M. C. Marden, P. P. Moh, L. Reinisch, A. H. Reynolds and K.T. Yue |
|
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"Isotope Effect in Molecular Tunneling" |
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R. P. Bell |
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"The Tunnel Effect in Chemistry" |
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Chapman and Hall, London 106 (1980) |
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V. I. Goldanskii |
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"Facts and Hypotheses of Molecular Chemical Tunneling" |
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R. A. Marcus |
|
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in "Tunneling in Biological
Systems" |
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Academic Press, |
|
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B. Chance |
|
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in "Tunneling in Biological
Systems" |
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Academic Press, |
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R. Furrer, M. Heinrich, D. Stehlik and H. Zimmermann |
|
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"Radical Pair Formation from Excited States in Doped Aromatic |
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Chem. Phys. 36, 27 (1979) |
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R. L. Hudson, M. Shiotani and F. Williams |
|
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"Hydrogen Atom Abstraction by Methyl Radicals in Methanol Glasses
at 15-100K: Evidence for a Limiting Rate Constant Below 40 K by
Quantum-Mechanical Tunneling" |
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Chem. Phys. Lett. 48, 193 (1977) |
|
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K. Toriyama, K. Nunome and M. Iwasaki |
|
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"Electron Spin Resonance Evidence for Tunneling
Hydrogen Atom Transfer Reaction at 4.2K in Organic |
|
J. Am. Chem. Soc. 99, 5823 (1977) |
|
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D. Stehlik |
|
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"The Mechanism of Optical Nuclear Polarisation in Molecular |
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in "Excited States" |
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Academic Press, New York 3, 203 (1977) |
|
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V. I. Goldanskii |
|
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"Chemical Reactions at Very Low Temperatures" |
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"Quantum Low-Temperature Limit of a Chemical Reaction Rate" |
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R. P. Bell |
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"The Proton in Chemistry" |
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A. Bree and R. Zwarich |
|
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"Vibrational Assignment of Fluorene from the Infrared and Raman Spectra" |
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C. Eckart |
|
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"The Penetration of a Potential Barrier by Electrons" |
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F. Hund |
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"Zur Deutung der Molekülspektren. 3 " |
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Z. Phys. 43, 805 (1927) |
Links to authors: C.
von Borczyskowski, I.
Y. Chan, F.
Fujara, B.
Prass, D.
Stehlik, L.
I. Trakhtenberg, H. P. Trommsdorff
© 1998-2020 Bernd Prass
17. Abstract: Using time dependent
phosphorescence and triplet-triplet absorption studies, the kinetics of the
lowest excited triplet state of deuterated acridine has been studied up to room temperature in the
hosts fluorene-d8h2 ,
fluorene-d10 and dibenzofurane.
A new high temperature decay channel is observed in the fluorene
hosts with a large isotope effect with respect to the 9,9'
CH2 group of the host molecule. The relation to the
photochemical hydrogen transfer reaction - found also in this system - will be
discussed.
J. Luminescence 24/25, 483 (1981)
23. Abstract: The decay kinetics of the 3pp* state (T) of acridine-d9
in fluorene single crystals is determined as a
function of temperature (20 < T < 300 K) via time-resolved
triplet-triplet absorption. A series of thermally activated intermolecular
decay processes has been identified with a characteristic deuterium isotope
effect with respect to the fluorene 9,9' positions. The results can be related consistently to
independent kinetic information on the radical-pair product formation by
photochemical hydrogen abstraction from fluorene by
excited acridine. Comparison to data on 3np*-abstraction reactions in
disordered systems elucidates further details of the reaction mechanism.
Chem. Phys. 81, 175 (1983)
29. Abstract: The temperature dependence of
the reaction rate k(T) in the case of the
photochemical solid-state reaction of a hydrogen abstraction in doped fluorene single crystals can be described by tunneling through an Eckart
potential barrier. Comparison to similarly interpreted
hydrogen-transfer reactions are given.
Chem. Phys. Lett. 107, 469 (1984)
32. Abstract: The reaction rate has been
measured in the temperature range 50 < T < 300 K for photochemical
H-abstraction by phenazine in its excited triplet
state doped in fluorene single crystals. Typical
features for a tunneling process like the approach to
a constant low-temperature rate, a non-Arrhenius
temperature-dependent rate and a substantial deuterium effect are demonstrated.
Under specific conditions the nuclear motion promoting the reaction can be
assigned as a vibrational oscillator with the
fundamental energy of 146 cm-1. Problems and possible ways
towards final specification of the reaction-promoting nuclear motion are
discussed.
Chem. Phys. Lett. 127, 475 (1986)
36. Abstract: Data with improved accuracy are
presented for the low temperature reaction rates k( T)
of the H-tunneling reaction between one specific host
neighbor molecule in fluorene
single crystals and a photoexcited acridine guest. The constant low temperature reaction rate
k0 cannot be separated from the precursor intramolecular
decay rate. This does not affect the analysis of the temperature dependent
reaction rate, which renders the identification of two distinct thermally
excited nuclear fluctuationmodes promoting the
H-transfer reaction. The energies are 125(15) and 440(40) cm-1. They agree well
with corresponding lines in the Raman spectra of fluorene
crystals. For the first time this result offers the possibility to test quantum
mechanical reaction mechanisms without the need of averaging over unspecified
distributions of nuclear fluctuation modes.
J. Chem. Phys. 88, 191 (1988)
40. Abstract: Analysis of very accurate
measurements of the temperature-dependent part of the H-transfer reaction rate k(T) in acridine-doped fluorene single crystals permits the identification of
distinct low-energy nuclear fluctuation modes promoting the reaction. Thus, a
form of mode-selective photochemistry has been realized. It is shown that the
temperature dependence of the reaction rate can be analyzed in a sequence of
functions of the general form z = ln[1 + A exp( -1/x)] where x is a reduced temperature, which
is related to the individual energies Ei of the respective
reaction promoting modes. The lowest energy reaction promoting mode (125 cm-1) can be well
related to the highest energy fluorene lattice mode
observed in improved Raman spectra. Its assignment to the ag-libration
around the long molecular axis is consistent with a high amplitude modulation
along the reaction coordinate. New phosphorescence data remove earlier
ambiguities with respect to the existence and contribution of a nonreactive acridine site.
Chem. Phys. 136, 187 (1989)
51. Abstract: The model calculations of the
commented paper are based on our experimental reaction rates for the H-transfer
in acridine-doped fluorene
single crystals. High experimental accuracy (reported one order of magnitude
too low) is crucial to realize that precise rates in a specific low-temperature
region provide the most critical test of the theoretical concept used. This has
been ignored by the authors with the wrong argument of low accuracy of the
experimental data.
Chem. Phys. Lett. 200, 429 (1992)
56. Abstract: We report a multifaceted
investigation of the hydrogen transfer photoreaction in acridine-doped
fluorene crystals at higher temperature. The purpose
is to elucidate the role of vibrationally assisted tunneling in this reaction system. Raman experiments were
conducted at various pressures and 77 K to document the change of vibrational frequency for the promoting mode(s). Upon
compression, a line with a large pressure coefficient emerges from under the
strong phonon mode at 96.5 cm-1. Through polarization studies under
pressure, we have identified it as a molecular butterfly mode of B1 symmetry. We have
measured the reaction rate at 150 K in order to examine the effect of a
suggested promoting mode at ~440 cm-1. The reaction
rate again increases exponentially with pressure, but with a significantly
higher pressure coefficient than that at 1.4 and 77 K. Mode patterns based on a
recently published (Ref.14) normal coordinate analysis of fluorene
are used to help establish the promoting modes for this reaction. This
consideration suggests that the 95 and 238 cm-1 modes
are likely promoting modes in addition to the 125 cm-1 libration. A computation of the Franck Condon factor for
the H-transfer process indicates that a small population of a high overtone of
a promoting mode may make a disproportionally large
contribution to the reaction rate. This calculation fails to account for the
greater pressure coefficient of the reaction rate at higher temperature.
Instead, such an increase may come partly from a greater compressibility at
higher temperature.
J. Chem. Phys. 103, 2959 (1995)
60. Abstract: The pressure and temperature
dependence of the reaction rate of the photochemical intermolecular H-transfer
reaction in acridine-doped fluorene
single crystals exhibit all typical features of solid state H-tunneling. Independent Raman data including the pressure
dependence have identified three low energy inter- and intramolecular
vibrational fluctuations as reaction promoting modes.
The mode identification allows a more subtle analysis of the H-transfer
reaction rate behavior on the basis of recent
theoretical concepts. Surprisingly, the complete data set k(P,
T) can be satisfactorily reproduced by an average one mode model with
parameters consistent with an average of the parameters calculated for the
individual reaction promoting modes.
Ber. Bunsenges.
Phys. Chem. 102, 498 (1998) Look at the poster.
64. Abstract: We report the pressure effect
on the intermolecular deuterium transfer tunneling
rate in the acridine-doped fluorene
crystal at 77, 150 and 200 K. Similar to the hydrogen transfer, the tunneling rate is exponentially enhanced by pressure.
The pressure slope for this exponential enhancement, however, is found to be
more temperature dependent for deuterium than for hydrogen tunneling.
The ratio of the pressure coefficients for H and D stands at 2.6 at 77 K, gradually decreases with increasing temperature until it
becomes essentially unity at room temperature. An intuitive model based on
the mass dependence of the tunneling distance is
presented to rationalize these observations.
J. Phys.
Chem. 103, 344 (1999) Look at the manuscript
69. Abstract: We report a study of the photodimerization of properly arranged anthracene
pairs generated by photolysis in a dianthracene
crystal at 2 K. We monitor the progress of the photodimerization
reaction by measuring the fluorescence lifetime of the pair excimer
state, and we use pressure as an empirical parameter. Dimerization
is too fast to monitor beyond 6 kbar for the normal (protonated) anthracene pairs, and
beyond 10 kbar for the perdeutero
sample. The results are interpreted as dimerization
through a tunneling mechanism, although evidence of a photophysical retardation was
observed. Pressure enhancement of the fluorescence decay rate is exponential.
The pressure coefficient for rate enhancement is 0.203 (0.010) natural log
units per kbar for the normal sample, and 0.2576
(0.0065) for the perdeuterated sample respectively
(with the standard deviation of the mean given in parentheses). The reaction
may be formally construed as nanosecond tunneling of
a very heavy particle. The origin of the “reverse” deuterium
isotope effect is discussed.
J. Chem.
Phys. 117, 4419 (2002) Look
at the manuscript