Mass spectrometry for investigations of gas-phase radical cation chemistry : The two step cycloaddition of the benzene radical cation and 1,3-butadiene |
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| Affiliation: | 1. University of Valencia, Department of Organic Chemistry, Dr. Moliner 50, E-46100, Burjassot, Valencia, Spain;2. Universidad Andrés Bello, Facultad de Ciencias Exactas, Departamento de Ciencias Químicas, Av. República 230, 8370146, Santiago, Chile;1. University of Valencia, Department of Organic Chemistry, Dr. Moliner 50, E-46100, Burjassot, Valencia, Spain;2. Universidad Andres Bello, Facultad de Ciencias Exactas, Departamento de Ciencias Químicas, Millennium Nucleus Chemical Processes and Catalysis (CPC), Av. República 498, 8370146, Santiago, Chile;1. Laboratoire de Synthèse et Biocatalyse Organique, Département de Chimie, Faculté des Sciences, Université Badji Mokhtar Annaba, BP 12, 23000 Annaba, Algeria;2. Département de Physique et Chimie, Ecole Normale Supérieure d’Enseignement Technologique de Skikda, Cité des frères Boucetta, Azzaba, Skikda, Algeria;1. Computational Chemistry Group, Department of Chemistry, Faculty of Science, University of Mauritius, Réduit 80837, Mauritius;2. Department of Organic Chemistry, University of Valencia, Dr. Moliner 50, E-46100 Burjassot, Valencia, Spain;3. Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia;4. X-ray Crystallography Unit, School of Physics, University Sains Malaysia, 11800 USM, Penang, Malaysia;1. Department of Chemistry, University of Kashan, Kashan, Iran;2. Institute of Nano Science and Nanotechnology, University of Kashan, Kashan, Iran |
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| Abstract: | Mass spectrometric techniques are now used extensively for the study of gas-phase radical cation chemistry. The generation and structural properties, the unimolecular and bimolecular chemistry of some representative radical cation systems, and the methods of study are reviewed. The structure of the ionmolecule adduct produced in the reaction of the benzene radical cation and neutral 1,3-butadiene was investigated by collisionally stabilizing the adduct and then acquiring its collision-activated decomposition spectrum. The CAD spectrum of the adduct changes dramatically as a function of the degree of collisional stabilization. This observation is interpreted in terms of two distinct structures for the adduct. The species that is stabilized at 0.7 Torr has a CAD spectrum similar to the 2-phenyl-2-butene radical cation. The second structure, stabilized at 0.1 Torr, has a CAD similar to that of 1-methylindan. The results of these experiments are interpreted in terms of a two-step cycloaddition mechanism for the formation of the 1-methylindan radical cation. |
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