On the structural changes induced by hydrogenation in polyenic schiff bases |
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| Authors: | J. Leclerq J.M. Leclercq C. Sandorfy |
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| Affiliation: | Départe ment de Chimié, Universit/''e de Montr/''eal, Québec, Canada H3C 3V1 |
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| Abstract: | Ab initio theoretical investigations, at the STO-3G level, of the free and protonated 1-imino-deca-2,4,6,8-tetraenes and some of the dihydroderivatives are reported. It is shown that the saturation of the CC bonds leads to drastic modifications of the ground-state potential-energy hypersurface. |
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