Materials Sciences and Applications, 2019, 10, 105-117 http://www.scirp.org/journal/msa ISSN Online: 2153-1188 ISSN Print: 2153-117X DOI: 10.4236/msa.2019.102009 Jan. 29, 2019 105 Materials Sciences and Applications Gas Phase Activation of Methane Molecule with Lead Benzene Dication Complex Ion, [Pb(Benzene) 2 ] 2+ Joseph K. Koka 1,2 1 School of Chemistry, University of Nottingham, Nottingham, United Kingdom 2 Department of Chemistry, School of Physical Sciences, University of Cape Coast, Cape Coast, Ghana Abstract Motivated by the search for ways of a more efficient usage of the ubiquitous, and unexploited resources of methane, recent progress in the gas-phase acti- vation of methane by metal dication complex ion is discussed. The gas phase theoretical and experimental analysis on [Pb(Benzene) 2 ] 2+ was conducted. The [Pb(Benzene) 2 ] 2+ complex ions were prepared using a combination of the pick-up technique and high energy electron impact, and then held in a cold ion trap. Excitation with tuneable UV radiation resulted in the formation of [Pb(Benzene) 2 (H 2 O)] 2+ , [Pb(Benzene) 2 (H 2 O) 2 ] 2+ , [Pb(Benzene)] + , Pb + and Benzene + ions when the experimental results were analysed. The two opti- mised geometries of [Pb(Benzene) 2 ] 2+ namely the C 2V eclipse and C 2 staggered were observed. Methane activation of [Pb(Benzene) 2 ] 2+ complex ion yielded [Pb(Benzene) 2 (Me)] 2+ . [Pb(Benzene) 2 (H 2 O)(Me) 2 ] 2+ , [Pb(Benzene) 2 (H 2 O)(Me)] 2+ , [PbBenzene(Me) 3 ] 2+ and [Pb(Benzene)(Me)] 2+ . The PEC calculated binding energy of methane to lead benzene dication complex ion was approximately 25.45% higher than the value recorded on DFT calculation. This difference was due to the charge differences on the lead metal centre. While the actual calculated charge on the Pb metal in the opti- mised geometry was 1.68 the charge of +2 on the Pb metal was considered in the PEC calculation. Keywords Lead, Benzene, Binding Energy, Methane Activation, Dication Complex Ion, Density Functional Calculations, Potential Energy Curve 1. Introduction Methane concentrations had increased globally from 722 parts per billion How to cite this paper: Koka, J.K. (2019) Gas Phase Activation of Methane Molecule with Lead Benzene Dication Complex Ion, [Pb(Benzene) 2 ] 2+ . Materials Sciences and Applications, 10, 105-117. https://doi.org/10.4236/msa.2019.102009 Received: November 17, 2018 Accepted: January 26, 2019 Published: January 29, 2019 Copyright © 2019 by author(s) and Scientific Research Publishing Inc. This work is licensed under the Creative Commons Attribution International License (CC BY 4.0). http://creativecommons.org/licenses/by/4.0/ Open Access