What Is the Nature of Supramolecular Bonding? Comprehensive NBO/NRT Picture of Halogen and Pnicogen Bonding in RPH(2)···IF/FI Complexes (R = CH(3), OH, CF(3), CN, NO(2))

We employ a variety of natural bond orbital (NBO) and natural resonance theory (NRT) tools to comprehensively investigate the nature of halogen and pnicogen bonding interactions in RPH(2)···IF/FI binary complexes (R = CH(3), OH, CF(3), CN, and NO(2)) and the tuning effects of R-substituents. Though...

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Detalles Bibliográficos
Autores principales: Jiao, Yinchun, Weinhold, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600247/
https://www.ncbi.nlm.nih.gov/pubmed/31159347
http://dx.doi.org/10.3390/molecules24112090

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6600247/
https://www.ncbi.nlm.nih.gov/pubmed/31159347
http://dx.doi.org/10.3390/molecules24112090

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