Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study

In this manuscript, we combined ab initio calculations (RI-MP2/def2-TZVPD level of theory) and a search in the CSD (Cambridge Structural Database) to analyze the influence of aromatic substitution in charge-assisted multivalent halogen bonding complexes. We used a series of benzene substituted iodin...

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Detalles Bibliográficos
Autores principales: Bauzá, Antonio, Quiñonero, David, Frontera, Antonio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5943962/
https://www.ncbi.nlm.nih.gov/pubmed/29271896
http://dx.doi.org/10.3390/molecules23010018

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5943962/
https://www.ncbi.nlm.nih.gov/pubmed/29271896
http://dx.doi.org/10.3390/molecules23010018

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