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
Hauptverfasser: Jayasuriya, Keerthi, Iyer, Sury
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.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.560340302