Validation of the M-C/H-C bond enthalpy relationship through application of density functional theory

被引:0
|
作者
Clot, Eric [1 ]
Mégret, Claire [1 ]
Eisenstein, Odile [1 ]
Perutz, Robin N. [2 ]
机构
[1] LSDSMS (UMR 5636, CNRS-UM2), Institut Charles Gerhardt, Université Montpellier 2, 34095 Montpellier Cedex 5, France
[2] Department of Chemistry, University of York, York YO10 5DD, United Kingdom
来源
关键词
63;
D O I
暂无
中图分类号
学科分类号
摘要
Journal article (JA)
引用
收藏
页码:8350 / 8357
相关论文
共 50 条
  • [31] A density functional theory study of C-H bond activation of methane on a bridge site of M-O-M-ZSM-5 Clusters (M = Au, Ag, Fe and Cu)
    Kurnaz, Emine
    Fellah, Mehmet Ferdi
    Onal, Isik
    MICROPOROUS AND MESOPOROUS MATERIALS, 2011, 138 (1-3) : 68 - 74
  • [32] Density Functional Theory Study of Selectivity Considerations for C–C Versus C–O Bond Scission in Glycerol Decomposition on Pt(111)
    Bin Liu
    Jeffrey Greeley
    Topics in Catalysis, 2012, 55 : 280 - 289
  • [33] Electron Transfer Reaction between M-C6H6 and M~+-C6H6 Complexes in the Gas Phase: Density Functional Theory Study
    Ai Ping FU
    State Key Laboratory Crystal Materials Shandong University
    ChineseChemicalLetters, 2000, (03) : 219 - 222
  • [34] Density Functional Theory Method for Study of the Mechanism of C-H Bond Formation on Finite-Sized Graphene Surface
    Tachikawa, Hiroto
    Iyama, Tetsuji
    JAPANESE JOURNAL OF APPLIED PHYSICS, 2010, 49 (06) : 06GJ121 - 06GJ124
  • [35] C-H bond activation over metal oxides: A new insight into the dissociation kinetics from density functional theory
    Li, Hui-Ying
    Guo, Yang-Long
    Guo, Yun
    Lu, Guan-Zhong
    Hu, P.
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (05):
  • [36] The effect of a silica support: a density functional theory study of the C-H bond activation of ethane on a nickel oxide cluster
    Lin, Xufeng
    Xi, Yanyan
    Phillips, David L.
    Guo, Wenyue
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2016, 29 (03) : 134 - 144
  • [37] Group-IV-based selective C-H bond activation of a diamondoid-A density functional theory study
    Suleiman, Motasem
    Taullaj, Fioralba
    Fekl, Ulrich
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021, 121 (11)
  • [38] On the role of the surface oxygen species during A-H (A = C, N, O) bond activation: a density functional theory study
    Yoo, Jong Suk
    Khan, Tuhin S.
    Abild-Pedersen, Frank
    Norskov, Jens K.
    Studt, Felix
    CHEMICAL COMMUNICATIONS, 2015, 51 (13) : 2621 - 2624
  • [39] Construction of a Metallacyclopentadiene Ring through the Attack of Carbanions to M≡C Bond Followed by C-H Activation
    Tang, Chun
    Zhang, Shengjie
    Lu, Zhengyu
    Li, Qian
    Luo, Ming
    Chen, Dafa
    Xia, Haiping
    CHINESE JOURNAL OF CHEMISTRY, 2024, 42 (03) : 235 - 242
  • [40] C-H bond activation of methane on M- and MO-ZSM-5 (M = Ag, Au, Cu, Rh and Ru) clusters: A density functional theory study
    Fellah, Mehmet Ferdi
    Onal, Isik
    CATALYSIS TODAY, 2011, 171 (01) : 52 - 59