Article ID Journal Published Year Pages File Type
5394444 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► We analyze the energetic features of anion-π complexes of tropolone rings. ► We compute the Molecular Electrostatic Potential Surfaces of tropolone rings. ► We perform the atoms-in-molecules analysis of the complexes. ► We have obtained experimental evidences from the CSD database.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical ab initio study of lone pair and anion-π interactions in fluorinated tropolones
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