Comparison between hydrogen-transfer and fluoro-transfer reactions on the microcanonical unimolecular rate constants

被引:0
|
作者
FENG
机构
关键词
Microcanonical rate constant; tunneling effect; curvature correction;
D O I
暂无
中图分类号
TE621 [基础理论];
学科分类号
摘要
The microcanonical rate constants for the hydrogen-transfer process of HCCF (reaction 7) and the fluoro-transfer process of FCCF (reaction 8) are carried out with tunneling correction and curvature correction. The results show that the tunneling effects and curvature effects on the rate constant of reaction 7 is quite different from that of reaction 8. The rate constants for different rotational states are also studied for these reactions.
引用
收藏
页码:391 / 395
页数:5
相关论文
共 50 条
  • [21] MICROCANONICAL CORRELATION-ANALYSIS OF COLLISIONAL ENERGY-TRANSFER EFFICIENCIES IN UNIMOLECULAR REACTIONS
    BORJESSON, LEB
    NORDHOLM, S
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (03): : 938 - 944
  • [22] EVALUATION OF DOMINANT REACTION PROBABILITIES FOR COLLINEAR HYDROGEN-TRANSFER REACTIONS
    MANZ, J
    SCHOR, HHR
    CHEMICAL PHYSICS LETTERS, 1984, 107 (06) : 549 - 554
  • [23] Silica-Grafted SnIV Catalysts in Hydrogen-Transfer Reactions
    Conrad, Sabrina
    Verel, Rene
    Hammond, Ceri
    Wolf, Patrick
    Goeltl, Florian
    Hermans, Ive
    CHEMCATCHEM, 2015, 7 (20) : 3270 - 3278
  • [24] Isotope Effects as Probes for Enzyme Catalyzed Hydrogen-Transfer Reactions
    Roston, Daniel
    Islam, Zahidul
    Kohen, Amnon
    MOLECULES, 2013, 18 (05) : 5543 - 5567
  • [25] SANDMEYER REACTIONS .2. ESTIMATION OF ABSOLUTE RATE CONSTANTS FOR SOME HYDROGEN-TRANSFER REACTIONS AND FOR THE TRANSFER OF WATER LIGANDS ON CU-II TO ARYL RADICALS BY USE OF A PSCHORR RADICAL CLOCK
    HANSON, P
    HAMMOND, RC
    GOODACRE, PR
    PURCELL, J
    TIMMS, AW
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1994, (04): : 691 - 696
  • [26] RELATION BETWEEN RATE AND EQUILIBRIUM CONSTANTS FOR PROTON-TRANSFER REACTIONS
    KREEVOY, MM
    OH, S
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (15) : 4805 - 4810
  • [27] Hydrogen-transfer between hydrogen donors and model compounds with steady isotope
    Shi, B.
    Wang, L.Q.
    Wen, P.
    Cui, B.W.
    Que, G.H.
    2001, Science Press (29):
  • [28] CONNECTION BETWEEN RATE CONSTANTS OF CROSS REACTIONS AND SYMMETRICAL REACTIONS OF ELECTRON-TRANSFER
    GERMAN, ED
    DOGONADZ.RR
    DOKLADY AKADEMII NAUK SSSR, 1974, 215 (03): : 620 - 623
  • [30] EXPERIMENTAL AND THEORETICAL STUDIES OF ENZYME-CATALYZED HYDROGEN-TRANSFER REACTIONS
    Wang, Zhen
    Roston, Daniel
    Kohen, Amnon
    STRUCTURAL AND MECHANISTIC ENZYMOLOGY: BRINGING TOGETHER EXPERIMENTS AND COMPUTING, 2012, 87 : 155 - 180