Crystal,Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives |
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| Authors: | Moreno M M Torres Santos R H A Gambardella M T P Camargo A J da Silva A B F Trsic M |
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| Institution: | (1) Departamento de Petrologia, Instituto de Geociências—UNESP, P.O. Box 178, 13560-900 Rio Claro, SP, Brasil;(2) Departamento de Química e Física Molecular, Instituto de Química de São Carlos, Universidade de São Paulo, P.O. Box 780, 13560-970 Säo Carlos, SP, Brasil |
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| Abstract: | The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, l-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitroindoline, and l-acetyl-5-bromo-7-nitro-indol. Molecular orbital calculations are performed for these compounds and two related species. |
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| Keywords: | 1-Acetyl-indoline crystal structure electronic structure AM1 calculation CI calculation |
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