Fletcher, JD; Parkes, MA; Price, SD; (2015) Electron transfer and bond-forming reactions following collisions of I2+ with CO and CS2. Molecular Physics: An International Journal at the Interface Between Chemistry and Physics , 113 (15-16) pp. 2125-2137. 10.1080/00268976.2015.1007105.

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Abstract

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 eV 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 CS2 have been investigated over a range of centre-of-mass collision energies between 0.8 eV and 6.0 eV. Both single and double electron transfer reactions are observed in the I2+/CS2 collision system, an observation again rationalized 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 rationalize the significantly larger yield of IS+ than IC+ in this bond-forming process.

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