Confinement effects on the structure and reactivity of encapsulated buckybowls in cycloparaphenylene.
Chem Commun (Camb)
; 60(50): 6451-6454, 2024 Jun 18.
Article
em En
| MEDLINE
| ID: mdl-38832811
ABSTRACT
We theoretically investigated the host-guest chemistry between belt-like cycloparaphenylenes (CPPs) and entrapped bowl-shaped sumanene and corannulene. Density functional theory calculations show that the buckybowls can be stabilized in a CPP host with an appropriately sized cavity (e.g., [10]CPP) through multi-site CH-π interactions. Arising from the confined intermolecular interactions within the cavity, the restrictive buckybowls display novel reactivity distinct from that in their free state.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Chem Commun (Camb)
Assunto da revista:
QUIMICA
Ano de publicação:
2024
Tipo de documento:
Article
País de afiliação:
China
País de publicação:
Reino Unido