A computational analysis of ortho-lithiation in aromatic systems
We have analyzed the ability of a tertiary amide group to activate an ortho position on aromatic system toward an electrophilic attack using an ab initio SCF molecular orbital method. The molecular electrostatic potential was used to analyze the electronic nature of the ortho‐lithiated intermediate...
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Veröffentlicht in: | International journal of quantum chemistry 1988-09, Vol.34 (3), p.199-206 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | We have analyzed the ability of a tertiary amide group to activate an ortho position on aromatic system toward an electrophilic attack using an ab initio SCF molecular orbital method. The molecular electrostatic potential was used to analyze the electronic nature of the ortho‐lithiated intermediate complex and possible sites for electrophilic attack. |
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ISSN: | 0020-7608 1097-461X |
DOI: | 10.1002/qua.560340302 |