Effect of pressure and temperature on the H-atom tunneling in solid phase chemical reactions. The acridine/fluorene system

被引：38

作者：

Trakhtenberg, LI ^{[1
]}

Klochikhin, VL ^{[1
]}

机构：

[1] State Sci Ctr Russian Federat, LY Karpov Phys Chem Res Inst, Moscow, Russia

来源：

CHEMICAL PHYSICS | 1998年 / 232卷 / 1-2期

关键词：

tunneling; hydrogen atom transfer; pressure; theory;

D O I：

10.1016/S0301-0104(98)00093-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In this paper the influence of temperature and pressure on the rate constant of photosensibilized tunneling of a hydrogen atom in an 'acridine-fluorene' system is considered. The influence of various types of vibrations on the temperature dependence of the hydrogen transfer rate constant is studied. Published experimental data on the temperature and pressure dependence are treated in terms of a modified theory of radiationless transitions. The reduction of equilibrium intermolecular distances and the frequency increase of the promotive modes under the effect of the applied external pressure are taken into account. The H/D isotope effect of the investigated reaction is considered. The literature data for the dependence 'volume vs. pressure' in aromatic single crystals are utilized for the interpretation of experimental results. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：175 / 187

页数：13

共 15 条

[1] Rate constant for H-atom tunneling in the fluorene-acridine system based on DFT potential energy surface
Trakhtenberg, LI
Fokeyev, AA
Dolin, SP
Mebel, AM
Lin, SH
CHEMICAL PHYSICS, 2004, 303 (1-2) : 107 - 113
[2] Temperature and pressure dependences of tunneling rate constant: Density-functional theory potential-energy surface for H-atom transfer in the fluorene-acridine system
Trakhtenberg, LI
Fokeyev, AA
Dolin, SP
Mebel, AM
Lin, SH
JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (11):
[3] Hydrogen Atom Tunneling in a Fluorene–Acridine System: Effect of the Reactant Reorganization
L. I. Trakhtenberg
A. A. Fokeev
S. P. Dolin
Russian Journal of Electrochemistry, 2003, 39 : 37 - 43
[4] Hydrogen atom tunneling in a fluorene-acridine system: Effect of the reactant reorganization
Trakhtenberg, LI
Fokeev, AA
Dolin, SP
RUSSIAN JOURNAL OF ELECTROCHEMISTRY, 2003, 39 (01) : 37 - 43
[5] Pressure and Temperature Effects on the Kinetics of Tunnel Solid-@Stale Reactions in the Acridine-@Fluorene System
Klochikhin, V. L.
Trakhtenberg, L. I.
Russian Journal of Physical Chemistry, 72 (03):
[6] Deuterium effect on the pressure coefficient of the tunneling rate in the acridine-fluorene solid-state photoreactive system
Chan, IY
Hallock, AJ
Prass, B
Stehlik, D
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (03): : 344 - 348
[7] The effect of reorganization of reagents on H atom tunneling in the fluorine-acridine system
Trakhtenberg, L.I.
Fokeev, A.A.
Dolin, S.P.
Elektrokhimiya, 2003, 39 (01): : 41 - 48
[8] Pressure and temperature dependence of h-atom tunneling in the debye approximation. barrier preparation and media reorganization
Trakhtenberg, L. I.
Fokeyev, A. A.
JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (38): : 9509 - 9515
[9] TEMPERATURE-DEPENDENCE OF A RATE-CONSTANT OF HYDROGEN-ATOM SOLID-PHASE TRANSFER-REACTION IN THE FLUORENE-ACRIDINE SYSTEM
FLOMENBLIT, VS
TRAKHTENBERG, LI
KHIMICHESKAYA FIZIKA, 1992, 11 (10): : 1324 - 1327
[10] Temperature dependence of the rate constant of a hydrogen atom transfer in a solid-state reaction within a fluorene-acridine system
Flomenblit, V.Sh.
Trakhtenberg, L.I.
Soviet Journal of Chemical Physics, 1994, 11 (10):

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