Etude conformationnelle des formes ouvertes d'un spiropyranne benzothiazolinique |
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| Authors: | Y Ferre E-J Vincent J Metzger A Samat R Guguelmetti |
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| Institution: | Université d''Aix-Marseille III, Département de Chimie Organique, 13013 Marseille, France;Université de Bretagne Occidentale, Laboratoire de Synthèse Organique, 29283 Brest-Cedex, France |
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| Abstract: | The results of the conformational study of a benzothiazolinic dimethinmérocyanine (open form) are described. Variations of electron π energy (Pariser-Parr-Pople method) and of non bonding energy are considered.All possible conformations have been investigated and the results of computations give evidence for a twisted structure, confirming a previous study taking account of σ and π electrons (Extended Huckel method). |
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