DFT investigation of role of N – H⋯O and N – H⋯π interactions in the stabilization of the hydrogen bonded complexes of anisole with aromatic amines

Theoretical investigations have been performed on hydrogen (H-) bonded complexes of two aromatic amines with anisole to investigate the effect of the methyl substituent on N – H⋯O and N – –H⋯π interactions. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) analyses were don...

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Detalles Bibliográficos
Autores principales: Rajpurohit, Anil Singh, Rajesh, R., Muhamed, R. Raj, Jaccob, M., Adaikala Baskar, A. Justin, Kannappan, V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6667824/
https://www.ncbi.nlm.nih.gov/pubmed/31388586
http://dx.doi.org/10.1016/j.heliyon.2019.e02155

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6667824/
https://www.ncbi.nlm.nih.gov/pubmed/31388586
http://dx.doi.org/10.1016/j.heliyon.2019.e02155

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