Electron transfer and bond-forming reactions following collisions of I 2+ with CO and CS 2
Electron transfer and bond-forming reactions following collisions of I 2+ with CO and CS 2
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I 2 与 CO 和 CS 2 碰撞后的电子转移和成键反应
DOI：
10.1080/00268976.2015.1007105
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发表时间：
2015
影响因子：
1.7
通讯作者：
Fletcher J
中科院分区：
文献类型：
--
作者：
Fletcher J
用飞行时间质谱仪研究了I2+与CO在0.5-3.0 eV质心碰撞能范围内的碰撞。在I2++CO碰撞后，我们从单电子转移反应中检测到I++CO+，从成键反应中检测到IO++C+。基于Landau-Zener理论的反应窗计算被用来解释电子转移反应性，计算化学被用来探索[I-CO]2+势能面以解释IO+的观察。此外，在0.8-6.0 eV的质心碰撞能范围内，研究了I2+与CS2之间的碰撞。在I2+/CS2碰撞体系中观察到了单电子转移反应和双电子转移反应，这一观察结果再次被反应窗理论所解释。在I2+与CS2碰撞后，也检测到单阳离子IS+和IC+，这些离子显然是成键反应的产物。我们基于[I-CS2]2+碰撞络合物的结构提出了一个简单的模型，以合理地解释在这一成键过程中IS+的产率比IC+大得多。
Collisions between I2+and CO have been investigated using time-of-flight mass spectrometry at a range of centre-of-mass collision energies between 0.5 and 3.0 eV. Following I2++CO collisions, we detect I++CO+from a single-electron transfer reaction and IO++C+from bond-forming reactivity. Reaction-window calculations, based on Landau–Zener theory, have been used to rationalise the electron transfer reactivity and computational chemistry has been used to explore the [I–CO]2+potential energy surface to account for the observation of IO+. In addition, collisions between I2+and CS2have been investigated over a range of centre-of-mass collision energies between 0.8 and 6.0 eV. Both single- and double-electron transfer reactions are observed in the I2+/CS2collision system, an observation again rationalised by reaction-window theory. The monocations IS+and IC+are also detected following collisions of I2+with CS2,and these ions are clearly products from a bond-forming reaction. We present a simple model based on the structure of the [I–CS2]2+collision complex to rationalise the significantly larger yield of IS+than IC+in this bond-forming process.