Title of article
A theoretical study of aromaticity in squaramide and oxocarbons
Author/Authors
H.R. and Palacios-Quiٌonero، نويسنده , , David and Frontera، نويسنده , , Antonio and Ballester، نويسنده , , Pau and Deyà *، نويسنده , , Pere M، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2000
Pages
5
From page
2001
To page
2005
Abstract
A systematic estimation of aromaticity in oxocarbon acids, their dianions, squaramide and its complex with the ammonium cation have been studied using structural and magnetic criteria. Results based on Nucleus Independent Chemical Shift (NICS) predict that deltic and squaric acids and their dianions are aromatic, while croconic and rhodizonic acids and their dianions are non-aromatic. Squaramide is less aromatic than its complex with the ammonium cation. Therefore, the gain in aromaticity in the squaramide ring is a possible explanation for the remarkable hydrogen bond acceptor character of squaramide.
Keywords
Aromaticity , NMR , theoretical studies , oxocarbon acids and derivatives
Journal title
Tetrahedron Letters
Serial Year
2000
Journal title
Tetrahedron Letters
Record number
1636625
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