Por favor, use este identificador para citar o enlazar a este item:
http://hdl.handle.net/10261/176470
COMPARTIR / EXPORTAR:
SHARE CORE BASE | |
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
Título: | Cooperative effects in weak interactions: Enhancement of tetrel bonds by intramolecular hydrogen bonds |
Autor: | Trujillo, Cristina CSIC ORCID; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID; Sánchez-Sanz, Goar CSIC ORCID | Palabras clave: | Tetrel bonds Binding energy Intramolecular hydrogen bonds MP2 Non-covalent interactions |
Fecha de publicación: | 2019 | Editor: | Molecular Diversity Preservation International | Citación: | Molecules 24 (2019) | Resumen: | A series of silyl and germanium complexes containing halogen atoms (fluorine and chlorine atoms) and exhibiting tetrel bonds with Lewis bases were analyzed by means of Møller-Plesset computational theory. Binding energies of germanium derivatives were more negative than silicon ones. Amongst the different Lewis bases utilized, ammonia produced the strongest tetrel bonded complexes in both Ge and Si cases, and substitution of the F atom by Cl led to stronger complexes with an ethylene backbone. However, with phenyl backbones, the fluorosilyl complexes were shown to be less stable than the chlorosilyl ones, but the opposite occurred for halogermanium complexes. In all the cases studied, the presence of a hydroxyl group enhanced the tetrel bond. That effect becomes more remarkable when an intramolecular hydrogen bond between the halogen and the hydrogen atom of the hydroxyl group takes places. | Versión del editor: | http://dx.doi.org/10.3390/molecules24020308 | URI: | http://hdl.handle.net/10261/176470 | DOI: | 10.3390/molecules24020308 | Identificadores: | doi: 10.3390/molecules24020308 issn: 1420-3049 e-issn: 1420-3049 |
Aparece en las colecciones: | (IQM) Artículos |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
---|---|---|---|---|
molecules-24-00308.pdf | 2,07 MB | Adobe PDF | Visualizar/Abrir |
CORE Recommender
PubMed Central
Citations
4
checked on 05-abr-2024
SCOPUSTM
Citations
21
checked on 23-abr-2024
WEB OF SCIENCETM
Citations
22
checked on 27-feb-2024
Page view(s)
213
checked on 23-abr-2024
Download(s)
137
checked on 23-abr-2024
Google ScholarTM
Check
Altmetric
Altmetric
Artículos relacionados:
NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.