Perspective: Bimolecular chemical reaction dynamics in liquids

被引:42
作者
Orr-Ewing, Andrew J. [1 ]
机构
[1] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England
基金
英国科学技术设施理事会; 英国工程与自然科学研究理事会; 欧洲研究理事会;
关键词
RESOLVED RESONANCE RAMAN; CN RADICAL REACTIONS; MOLECULAR REACTION DYNAMICS; ROOM-TEMPERATURE LIQUIDS; BOND-SPECIFIC CHEMISTRY; SOLUTION-PHASE; ULTRAVIOLET PHOTOLYSIS; CHLORINE-ATOM; PHOTOISOMERIZATION REACTION; INFRARED-SPECTROSCOPY;
D O I
10.1063/1.4866761
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
Bimolecular reactions in the gas phase exhibit rich and varied dynamical behaviour, but whether a profound knowledge of the mechanisms of isolated reactive collisions can usefully inform our understanding of reactions in liquid solutions remains an open question. The fluctuating environment in a liquid may significantly alter the motions of the reacting particles and the flow of energy into the reaction products after a transition state has been crossed. Recent experimental and computational studies of exothermic reactions of CN radicals with organic molecules indicate that many features of the gas-phase dynamics are retained in solution. However, observed differences may also provide information on the ways in which a solvent modifies fundamental chemical mechanisms. This perspective examines progress in the use of time-resolved infra-red spectroscopy to study reaction dynamics in liquids, discusses how existing theories can guide the interpretation of experimental data, and suggests future challenges for this field of research. (C) 2014 AIP Publishing LLC.
引用
收藏
页数:12
相关论文
共 114 条
  • [11] THE INITIAL VIBRATIONAL-STATE DISTRIBUTION OF HCN (X)OVER-TILDE(1)SIGMA(+)(V(1),O,V(3)) FROM THE REACTION CN((2)SIGMA(+))+C2H6-]HCN+C2H5
    BETHARDY, GA
    NORTHRUP, FJ
    MACDONALD, RG
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (20) : 7966 - 7982
  • [12] BOND-SPECIFIC CHEMISTRY - OD-OH PRODUCT RATIOS FOR THE REACTIONS H+HOD(100) AND H+HOD(001)
    BRONIKOWSKI, MJ
    SIMPSON, WR
    GIRARD, B
    ZARE, RN
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (11) : 8647 - 8648
  • [13] EFFECT OF REAGENT VIBRATION ON THE H+HOD REACTION - AN EXAMPLE OF BOND-SPECIFIC CHEMISTRY
    BRONIKOWSKI, MJ
    SIMPSON, WR
    ZARE, RN
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (10) : 2194 - 2203
  • [14] CHARMM: The Biomolecular Simulation Program
    Brooks, B. R.
    Brooks, C. L., III
    Mackerell, A. D., Jr.
    Nilsson, L.
    Petrella, R. J.
    Roux, B.
    Won, Y.
    Archontis, G.
    Bartels, C.
    Boresch, S.
    Caflisch, A.
    Caves, L.
    Cui, Q.
    Dinner, A. R.
    Feig, M.
    Fischer, S.
    Gao, J.
    Hodoscek, M.
    Im, W.
    Kuczera, K.
    Lazaridis, T.
    Ma, J.
    Ovchinnikov, V.
    Paci, E.
    Pastor, R. W.
    Post, C. B.
    Pu, J. Z.
    Schaefer, M.
    Tidor, B.
    Venable, R. M.
    Woodcock, H. L.
    Wu, X.
    Yang, W.
    York, D. M.
    Karplus, M.
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2009, 30 (10) : 1545 - 1614
  • [15] Brouard M, 2010, TUTORIALS IN MOLECULAR REACTION DYNAMICS, P1
  • [16] Ultrafast Observation of Isomerization and Complexation in the Photolysis of Bromoform in Solution
    Carrier, Stacey L.
    Preston, Thomas J.
    Dutta, Maitreya
    Crowther, Andrew C.
    Crim, F. Fleming
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (03) : 1548 - 1555
  • [17] Chandler D., 1987, INTRO MODERN STAT ME
  • [18] TWO-DIMENSIONAL IMAGING OF STATE-SELECTED PHOTODISSOCIATION PRODUCTS DETECTED BY MULTIPHOTON IONIZATION
    CHANDLER, DW
    HOUSTON, PL
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) : 1445 - 1447
  • [19] CHARGE-TRANSFER ABSORPTION-SPECTRA OF CHLORINE ATOMS IN HALOGENATED SOLVENTS
    CHATEAUNEUF, JE
    [J]. CHEMICAL PHYSICS LETTERS, 1989, 164 (06) : 577 - 580
  • [20] Kinetic evidence for chlorine atom complexes in "noncomplexing" solvents
    Chateauneuf, JE
    [J]. JOURNAL OF ORGANIC CHEMISTRY, 1999, 64 (03) : 1054 - 1055