Influence of vibrational resonances and Coriolis coupling on dissociation rates in the near-threshold unimolecular fragmentation of HOCl

被引：13

作者：

Hauschildt, J ^{[1
]}

Weiss, J ^{[1
]}

Schinke, R ^{[1
]}

机构：

[1] Max Planck Inst Stromungsforsch, D-37073 Gottingen, Germany

来源：

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS | 2000年 / 214卷 / 05期

关键词：

D O I：

10.1524/zpch.2000.214.5.609

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：

The unimolecular dissociation of HOCl in the ground electronic state near the HO+Cl fragmentation threshold is investigated employing an ab initio potential energy surface. The dynamics calculations are performed by using an imaginary absorbing potential and filter diagonalization. The computational study is mainly focused on the influence of accidental or systematic vibrational resonances on the total angular momentum dependence of dissociation rates and the importance of Coriolis interaction.

引用

页码：609 / 623

页数：15

共 9 条

[1] State selected unimolecular dissociation of HOCl near threshold:: The 6νOH vibrational state
Dutton, G
Barnes, RJ
Sinha, A
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (11): : 4976 - 4992
[2] Unimolecular dissociation of HOCl near threshold: Quantum state and time-resolved studies
Univ of California-San Diego, La Jolla, United States
J Phys Chem A, 45 (8374-8377):
[3] Unimolecular dissociation of HOCl near threshold: Quantum state and time-resolved studies
Barnes, RJ
Dutton, G
Sinha, A
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (45): : 8374 - 8377
[4] Vibrational Feshbach resonances in near-threshold HOCO- photodetachment: A theoretical study
Miyabe, S.
Haxton, D. J.
Lawler, K. V.
Orel, A. E.
McCurdy, C. W.
Rescigno, T. N.
PHYSICAL REVIEW A, 2011, 83 (04)
[5] DIRECT MEASUREMENT OF NEAR-THRESHOLD RATE CONSTANTS FOR UNIMOLECULAR DISSOCIATION OF CF3I AFTER IR MULTIPHOTON EXCITATION
ABEL, B
BROUWER, L
HERZOG, B
HIPPLER, H
TROE, J
CHEMICAL PHYSICS LETTERS, 1986, 127 (06) : 541 - 546
[6] INFLUENCE OF GASEOUS ENVIRONMENTS ON RATES OF NEAR-THRESHOLD FATIGUE CRACK-PROPAGATION IN NICRMOV STEEL
LIAW, PK
HUDAK, SJ
DONALD, JK
METALLURGICAL TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 1982, 13 (09): : 1633 - 1645
[7] INFLUENCE OF TOTALLY SYMMETRIC VIBRATIONAL-MODES ON NEAR-THRESHOLD AUTOIONIZATION SPECTRA OF POLYATOMIC-MOLECULES
SOBOLEWSKI, AL
CHEMICAL PHYSICS LETTERS, 1988, 153 (2-3) : 191 - 194
[8] State-to-state unimolecular reaction dynamics of HOCl near the dissociation threshold: The role of vibrations, rotations, and IVR probed by time- and eigenstate-resolved spectroscopy
Callegari, A
Rebstein, J
Jost, R
Rizzo, TR
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (16): : 7359 - 7368
[9] Spectroscopic observation of vibrational Feshbach resonances in near-threshold photoexcitation of X-•CH3NO2 (X- = I- and Br-)
Dessent, CEH
Kim, J
Johnson, MA
FARADAY DISCUSSIONS, 2000, 115 : 395 - 406

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