An ab initio study of O2 and CO2 transport by perfluorocarbons |
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Authors: | Paul Ruelle Camille Sandorfy |
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Institution: | (1) Département de Chimie, Université de Montréal, H3C 3V1 Montréal, Québec, Canada;(2) Present address: Ecole de Pharmacie, Université de Lausanne, CH-1005 Lausanne, Suisse |
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Abstract: | Fluorocarbons have been successfully applied as oxygen carriers replacing blood. In order to understand the nature of the interaction between fluorocarbons and hydrocarbons on the one hand and O2, N2 and CO2 on the other, STO-3G calculations have been performed on their complexes. The very slight energies of interaction that were obtained seem to substantiate the contention that O2, N2 and CO2 are physically dissolved in fluorocarbons. This energy of interaction is, however, distinctly larger for fluorocarbons than for hydrocarbons. Electrostatic potentials have been computed around several fluorocarbons. They make it possible to predict the geometries of the complexes that are formed. |
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Keywords: | Perfluorocarbons O2 Transport Oxygen carriers ab initio Electrostatic potential |
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