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Generation of the organo-rare gas dications HCCRg2+ (Rg = Ar and Kr) in the reaction of acetylene dications with rare gases

Generation of the organo-rare gas dications HCCRg2+ (Rg = Ar and Kr) in the reaction of acetylene dications with rare gases

Author affiliations

* Corresponding authors

a Department of Physics, University of Trento, Via Sommarive 14, Trento, Italy
E-mail: ascenzi@science.unitn.it

b Department of Organic Chemistry, Faculty of Sciences, Charles University in Prague, Hlavova 8, Prague 2, Czech Republic
E-mail: roithova@natur.cuni.cz

c Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, Prague 6, Czech Republic

d University College London, Department of Chemistry, 20 Gordon Street, London, United Kingdom
E-mail: s.d.price@ucl.ac.uk

Abstract

Using doubly ionized acetylene as a superelectrophilic reagent, the new rare-gas compounds HCCAr 2+ and HCCKr 2+ have been prepared for the first time in hyperthermal collisions of mass-selected C2H22+ with neutral rare gases ( Rg ). However, electron transfer from the rare gas to the acetylene dication as well as proton transfer from C2H22+ to the rare gas efficiently compete with formation of HCCRg 2+ . The computational investigations show that the formation of HCCRg 2+ from acetylene dication is endothermic with Rg = He , Ne , Ar and Kr and only weakly exothermic with Xe . These energetic factors, as well as the pronounced competition with the other reactive channels help to explain why HCCRg 2+ is only observed with Rg = Ar and Kr .

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Article type
Paper

Submitted
18 Jun 2008

Accepted
02 Sep 2008

First published
15 Oct 2008

Download Citation

Phys. Chem. Chem. Phys., 2008,10, 7121-7128

Generation of the organo-rare gas dications HCCRg 2+ ( Rg = Ar and Kr ) in the reaction of acetylene dications with rare gases

D. Ascenzi, P. Tosi, J. Roithová, C. L. Ricketts, D. Schröder, J. F. Lockyear, M. A. Parkes and S. D. Price, Phys. Chem. Chem. Phys., 2008, 10, 7121 DOI: 10.1039/B810398D

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