Effect of Intra- and Intermolecular Interactions on the Properties of para-Substituted Nitrobenzene Derivatives

Effect of Intra- and Intermolecular Interactions on the Properties of para-Substituted Nitrobenzene Derivatives

To study the influence of intra- and intermolecular interactions on properties of the nitro group in para-substituted nitrobenzene derivatives, two sources of data were used: (i) Cambridge Structural Database and (ii) quantum chemistry modeling. In the latter case, “pure” intramolecular interactions...

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Bibliographic Details
Main Authors: Halina Szatylowicz, Olga A. Stasyuk, Célia Fonseca Guerra, Tadeusz M. Krygowski
Format: Article
Language:English
Published: MDPI AG 2016-03-01
Series:Crystals
Subjects:
nitro group
crystal structures
hydrogen bond
Voronoi deformation density
energy decomposition analysis (EDA)
Online Access:http://www.mdpi.com/2073-4352/6/3/29

Internet

http://www.mdpi.com/2073-4352/6/3/29

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