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Interplay between Beryllium Bonds and Anion-π Interactions in BeR(2):C(6)X(6):Y(−) Complexes (R = H, F and Cl, X = H and F, and Y = Cl and Br)

A theoretical study of the beryllium bonds in BeR(2):C(6)X(6) (R = H, F, Cl and X = H and F) has been carried out by means of MP2/aug′-cc-pVDZ computational methods. In addition, the ternary complexes BeR(2):C(6)X(6):Y(−) (Y = Cl and Br) have been analyzed. Geometric, energetic and electronic aspect...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Marín-Luna, Marta, Alkorta, Ibon, Elguero, José, Mó, Otilia, Yáñez, Manuel
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6272305/
https://ncbi.nlm.nih.gov/pubmed/26035097
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules20069961
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