Cargando…
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...
Autores principales: | Marín-Luna, Marta, Alkorta, Ibon, Elguero, José, Mó, Otilia, Yáñez, Manuel |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272305/ https://www.ncbi.nlm.nih.gov/pubmed/26035097 http://dx.doi.org/10.3390/molecules20069961 |
Ejemplares similares
-
Unusual Complexes of P(CH)(3) with FH, ClH, and ClF
por: Del Bene, Janet E., et al.
Publicado: (2020) -
N(…)C and S(…)S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN
por: Del Bene, Janet E., et al.
Publicado: (2019) -
An interacting quantum atom study of model S(N)2 reactions (X(–)···CH(3)X, X = F, Cl, Br, and I)
por: Alkorta, Ibon, et al.
Publicado: (2017) -
Complexes Between Adamantane Analogues B(4)X(6) -X = {CH(2), NH, O ; SiH(2), PH, S} - and Dihydrogen, B(4)X(6):nH(2) (n = 1–4)
por: Oliva-Enrich, Josep M., et al.
Publicado: (2020) -
Dynamic and Static Nature of XH-∗-π and YX-∗-π (X = F, Cl, Br, and I; Y = X and F) in the Distorted π-System of Corannulene Elucidated with QTAIM Dual Functional Analysis
por: Hayashi, Satoko, et al.
Publicado: (2023)