Interplay between Beryllium Bonds and Anion-π Interactions in BeR2:C6X6:Y- Complexes (R = H, F and Cl, X = H and F, and Y = Cl and Br).
Molecules
; 20(6): 9961-76, 2015 May 29.
Article
em En
| MEDLINE
| ID: mdl-26035097
ABSTRACT
A theoretical study of the beryllium bonds in BeR2C6X6 (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 BeR2C6X6Y- (Y = Cl and Br) have been analyzed. Geometric, energetic and electronic aspects of the complexes have been taken into account. All the parameters analyzed provide a clear indication of favorable cooperativity in both interactions observed, beryllium bond and aromatic ringanion interaction.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Berílio
/
Elétrons
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Complexos de Coordenação
/
Halogênios
Idioma:
En
Revista:
Molecules
Assunto da revista:
BIOLOGIA
Ano de publicação:
2015
Tipo de documento:
Article
País de afiliação:
Espanha