The ternary hydrogen-bonded complexes formed by pseudo-π∙∙∙H and N∙∙∙H interactions: DFT and QTAIM calculations

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  • Presentation type: Exposição de Pôster
  • Track: Química Teórica - TEO
  • Keywords: Hydrogen bond; B3LYP/6-311++G(d,p); QTAIM;

Authors:

  • 1 Universidade Federal do Oeste da Bahia

The ternary hydrogen-bonded complexes formed by pseudo-π∙∙∙H and N∙∙∙H interactions: DFT and QTAIM calculations

Daniel Arley Santos Oliveira

Universidade Federal do Oeste da Bahia

Abstract

This work consists of a theoretical study of ternary complexes stabilized through the hydrogen bonds. Analyses of structural and topological parameters were carried out.

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