Quantum Tunneling Enhancement of the C + H2O and C + D2O Reactions at Low Temperature

被引:41
|
作者
Hickson, Kevin M. [1 ]
Loison, Jean-Christophe [1 ]
Nunez-Reyes, Dianailys [1 ]
Mereau, Raphael [1 ]
机构
[1] Univ Bordeaux, ISM, CNRS, UMR 5255, F-33400 Talence, France
来源
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2016年 / 7卷 / 18期
关键词
ATOMIC CARBON; RATE COEFFICIENTS; MASTER EQUATION; AB-INITIO; REACTION-RATES; 64; K; WATER; TEMPERATURES; OH; KINETICS;
D O I
10.1021/acs.jpclett.6b01637
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
Recent studies of neutral gas-phase reactions characterized by barriers show that certain complex forming processes involving light atoms are enhanced by quantum mechanical tunneling at low temperature. Here, we performed kinetic experiments on the activated C(P-3) + H2O reaction, observing a surprising reactivity increase below 100 K, an effect that is only partially reproduced when water is replaced by its deuterated analogue. Product measurements of H- and D-atom formation allowed us to quantify the contribution of complex stabilization to the total rate while confirming the lower tunneling efficiency of deuterium. This result, which is validated through statistical calculations of the intermediate complexes and transition states has important consequences for simulated interstellar water abundances and suggests that tunneling mechanisms could be ubiquitous in cold dense clouds.
引用
收藏
页码:3641 / 3646
页数:6
相关论文
共 50 条
  • [31] Stimulated Raman scattering investigation of isotopic substitution H2O/D2O system
    Gao, Yue
    Gong, Nan
    Sun, Chenglin
    Fang, Wenhui
    Wang, Shenghan
    Men, Zhiwei
    JOURNAL OF MOLECULAR LIQUIDS, 2020, 297
  • [32] Volumetric properties of H2O, D2O, and methanol in acetonitrile at 278.15—318.15 K
    E. V. Ivanov
    V. K. Abrosimov
    E. Yu. Lebedeva
    Russian Chemical Bulletin, 2003, 52 : 1326 - 1332
  • [33] Kinetic studies on the initial crystallization process of lysozyme in the presence of D2O and H2O
    Liu, XQ
    Sano, Y
    JOURNAL OF PROTEIN CHEMISTRY, 1998, 17 (01): : 9 - 14
  • [34] H2O and D2O spin-isomers as a mediator of the electron transfer in the reaction center of purple bacteria
    Pishchalnikov, R. Yu
    Pershin, S. M.
    Bunkin, A. F.
    PHYSICS OF WAVE PHENOMENA, 2012, 20 (03) : 184 - 192
  • [35] FT-IR study of the interaction between H2O, D2O, HOD, and pyridines
    Goethals, M
    ZeegersHuyskens, T
    SPECTROSCOPY LETTERS, 1995, 28 (08) : 1125 - 1135
  • [36] Utilization of a kinetic isotope effect to decrease decomposition of ceftriaxone in a mixture of D2O/H2O
    Jasprica, Ivona
    Horvat, Petar
    Zrnc, Katarina
    Bonney, Karl J.
    Bjornstad, Vidar
    Hok, Lucija
    Vianello, Robert
    Bregovic, Nikola
    Pozar, Josip
    Leko, Katarina
    Tomisic, Vladislav
    Mestrovic, Ernest
    EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2023, 187
  • [37] Accurate correlations for the self-diffusion coefficients of CO2, CH4, C2H4, H2O, and D2O over wide ranges of temperature and pressure
    Liu, HQ
    Macedo, EA
    JOURNAL OF SUPERCRITICAL FLUIDS, 1995, 8 (04) : 310 - 317
  • [38] Optical n(p, T90) Measurement Suite 2: H2O and D2O
    Egan, Patrick F.
    Yang, Yuanchao
    INTERNATIONAL JOURNAL OF THERMOPHYSICS, 2024, 45 (06)
  • [39] Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: Isotope effects in the infrared spectra of D(D2O)2+, H(D2O)2+, and D(H2O)2+ isotopologues
    Vendrell, Oriol
    Gatti, Fabien
    Meyer, Hans-Dieter
    JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (03)
  • [40] 400 MHz NMR Study of Isotope Effects on Albumin in H2O/D2O Solutions
    Korunur, S.
    Zengin, B.
    Yilmaz, A.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 92 (10) : 1932 - 1934