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Vaporisation of a Dicationic Ionic Liquid Revisited |
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| Authors: | Joana Vitorino Dr. João P. Leal Dr. Peter Licence Dr. Kevin R. J. Lovelock Dr. Peter N. Gooden Dr. Manuel E. Minas da Piedade Dr. Karina Shimizu Prof. Luís P. N. Rebelo Dr. José N. Canongia Lopes |
| Affiliation: | 1. Departamento de Química e Bioquímica/FCUL, 1649‐016 Lisboa (Portugal);2. Unidade de Ciências Químicas e Radiofarmacêuticas/ITN, 2686‐953, Sacavém (Portugal);3. School of Chemistry, University of Nottingham, Nottingham, NG7 2RD (UK);4. Centro de Química Estrutural/IST, Av. Rovisco Pais 1049 001 Lisboa (Portugal), Fax: (+351)?218?464?455 http://cqe.ist.utl.pt;5. Instituto de Tecnologia Química e Biológica/UNL, Av. República, Apartado 127, 2780 901 Oeiras (Portugal) http://www.itqb.unl.pt |
| Abstract: | The vaporization of a dicationic ionic liquid at moderate temperatures and under reduced pressures —recently studied by line‐of‐sight mass spectrometry—was further analyzed using an ion‐cyclotron resonance mass spectroscopy technique that allows the monitoring of the different species present in the gas phase through the implementation of controlled ion–molecule reactions. The results support the view that the vapour phase of an aprotic dicationic ionic liquid is composed of neutral ion triplets (one dication attached to two anions). Molecular dynamics simulations were also performed in order to explain the magnitude of the vaporization enthalpies of dicationic ionic liquids vis‐à‐vis their monocationic counterparts. |
| Keywords: | ionic liquids ion cyclotron resonance spectrometry mass spectrometry molecular dynamics thermodynamics |