1990年1月1日 · We found that the CH3I data fitted well to a quadratic expression In [OH]/[OH]o = at 2 + bt + c. The constant b, the slope at the origin, is then taken to be the true value of the pseudo first-order rate con- stant kI, since effects due …

2013年12月27日 · Direct dynamics simulations and selected ion flow tube (SIFT) experiments were performed to study the kinetics and dynamics of the OH(-) + CH3I reaction versus temperature. This work complements previous direct dynamics simulation and molecular beam ion imaging experiments of this reaction versus re …

The majority of CH3I + OH– were formed through a direct mechanism. For both CH2I– + H2O and CH3OH + I–, the direct mechanism is overall more important than the indirect mechanisms, with the roundabout like mechanism the most important …

2001年1月1日 · For example, in a stoichiometric CHJair flame the fastest path for CH3I destruction is shown to be via H-atom attack, followed by OH attack, with lesser roles for O-atom attack and unimolecular decomposition.

Regarding OH + CH3I, several studies have focused on the dynamics of the reaction. Here, high-level quasi-classical trajectory simulations are carried out at four different collision energies on our recently developed potential energy surface.

考虑到 OH− + CH3I 的 11 种可能途径，在反应性中观察到明显的模式特异性：一般来说，OH− 伸缩和 CH 伸缩的激发对通道的影响最大。 对于 SN2 和质子抽象产物，反应物初始攻角和产物散射角分布没有显示出主要的模式特定特征，但较高碰撞能量下的 SN2 除外，其中 CI 拉伸和 CH 拉伸激发促进了前向散射。 还检查了反应后能量流的 SN2 和质子提取，发现多余的振动激发能反而转移到产物振动能中，因为产物的平移和旋转能量分布不代表显着的模式特异性。 此外，在质 …

1990年1月1日 · A discharge-flow resonance-fluorescence technique was used to study the rates of the reactions CH 3 I + OH → products (1) CF 3 I + OH → CF 3 + HOI. (2) Reaction (1) was studied in the temperature range 271–423 K, and Reaction (2) was investigated at 298 K.

A flash photolysis resonance fluorescence technique has been employed to investigate the kinetics and mechanism of the reaction of OH (X 2 Π) radicals with CH 3 I over the temperature and pressure ranges 295–390 K and 82–303 Torr of He, respectively.

2013年12月11日 · Calculations were performed with the OH – quantum number J equal to 0, 3, and 6 to investigate the effect of OH – rotational excitation on the OH – + CH 3 I reaction dynamics. The overall reaction probability and the probabilities for the S N 2 and proton-transfer pathways have little dependence on J .

2015年2月5日 · The work presented here gives a detailed picture of the [CH3--I--OH](-) dissociation dynamics and is very important for unraveling the role of [CH3--I--OH](-) in the dynamics of the OH(-)(H2O)(n=1,2) + CH3I reactions.