A model for bond-breaking electron transfer at metal electrodes

被引：36
|
作者：
Santos, E
Koper, MTM
Schmickler, W [1 ]
机构：
[1] Univ Ulm, Dept Theoret Chem, Abt Elektrochem, D-89069 Ulm, Germany
[2] Univ Nacl Cordoba, Fac Matemat Astron & Fis, RA-5000 Cordoba, Argentina
[3] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands
来源：
CHEMICAL PHYSICS LETTERS | 2006年 / 419卷 / 4-6期
关键词：
D O I：
10.1016/j.cplett.2005.11.118
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：
A model Hamiltonian is proposed for bond-breaking electrochemical electron transfer to an adsorbed molecule. The theory is applied to a homonuclear molecule, and self-consistent equations are derived for the occupation probabilities of the orbitals and the system energy. Model calculations result in an adiabatic potential energy surface with a minimum for the adsorbed state with the bond intact and a valley for the two dissociated anions. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：421 / 425
页数：5
相关论文
共 50 条
  • [31] ENERGY AND ENTROPY OF BOND-BREAKING IN LIQUID CHALCOGENIDES
    RADSCHEIT, H
    GARDNER, JA
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 1980, 35-6 (JAN-) : 1263 - 1267
  • [32] Solid Handmade Ternary Coinage Metal Mentors for Organic Bond-Making and Bond-Breaking Applications
    Ravichandran, Ramya
    Jayachandran, Sreelakshmi
    Annamalai, Arun
    Annamalai, Kumaresan
    Jeevarathinam, Anandhavalli
    Elumalai, Sundaravadivel
    LANGMUIR, 2024, 40 (33) : 17270 - 17283
  • [33] Selectivity of bond-breaking in electron-induced dissociation of hydrocarbon films on Au surfaces
    Syomin, D
    Koel, BE
    SURFACE SCIENCE, 2001, 492 (1-2) : L693 - L699
  • [34] Stepwise and concerted pathways in photoinduced and thermal electron-transfer/bond-breaking reactions.: Experimental illustration of similarities and contrasts
    Pause, L
    Robert, M
    Savéant, JM
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (21) : 4886 - 4895
  • [35] Stepwise and concerted pathways in photoinduced and thermal electron-transfer/bond-breaking reactions. Experimental illustration of similarities and contrasts
    Savéant, J.-M., 1600, (American Chemical Society):
  • [36] Electron transfer and bond breaking:: Recent advances
    Costentin, Cyrille
    Robert, Marc
    Saveant, Jean-Michel
    CHEMICAL PHYSICS, 2006, 324 (01) : 40 - 56
  • [37] ENERGY AND ENTROPY OF BOND-BREAKING IN DOPED LIQUID SELENIUM
    GARDNER, JA
    RITTER, AL
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1979, 24 (03): : 244 - 244
  • [38] MODEL FOR BOND-BREAKING MECHANISMS IN AMORPHOUS ARSENIC CHALCOGENIDES LEADING TO LIGHT-INDUCED ELECTRON-SPIN-RESONANCE
    ELLIOTT, SR
    SHIMAKAWA, K
    PHYSICAL REVIEW B, 1990, 42 (16): : 9766 - 9770
  • [39] Anchor Points Reactive Potential for Bond-Breaking Reactions
    Yang, Ke R.
    Xu, Xuefei
    Truhlar, Donald G.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (03) : 924 - 933
  • [40] Selective bond-breaking in molecules by intense infrared radiation
    Ferconi, M
    Alvarez, JJV
    Pantelides, ST
    CHEMICAL PHYSICS LETTERS, 1999, 303 (1-2) : 57 - 64
12345