Stabilities of the C-H...O bonded complexes of the haloforms HCClnF3-n (n = 0-3) with dimethyl ether, oxirane, and acetone: an experimental and theoretical study |
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| Authors: | Delanoye Sofie N Herrebout Wouter A van der Veken Benjamin J |
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| Institution: | University of Antwerp, Department of Chemistry, Groenenborgerlaan 171, B2020 Antwerp, Belgium. |
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| Abstract: | Complexation enthalpies of the complexes of the haloforms HCCl(n)F(3-)(n) (n = 0-3) with dimethyl ether, oxirane, and acetone have been determined in liquid krypton and/or liquid argon using infrared spectroscopy. The same quantities were derived starting from ab initio complexation energies, calculated at the MP2=FULL/aug-cc-VTZ level, and by correcting these energies for thermodynamic and solvent contributions. The two sets of data are compared and discussed. |
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