Energetically More Stable Singlet Cyclopentane-1,3-diyl Diradical with π-Single Bonding Character than the Corresponding σ-Single Bonded Compound.
J Am Chem Soc
; 145(49): 27089-27094, 2023 Dec 13.
Article
em En
| MEDLINE
| ID: mdl-37967336
ABSTRACT
Carbon-carbon σ-single bonds are crucial for constructing molecules like ethane derivatives (R3C-CR3), which are composed of tetrahedral four-coordinate carbons. Molecular functions, such as light absorption or emission, originate from the π-bonds existing in ethylene derivatives (R2CâCR2). In this study, a relatively stable cyclopentane-1,3-diyl species with π-single bonding system (C-π-C) with planar four-coordinate carbons is constructed. This diradicaloid is energetically more stable than the corresponding σ-single bonding system. The π-electron single bonding system provides deeper insights into the chemical bonding and the physical properties derived from the small energy gaps between the bonding and antibonding molecular orbitals.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
J Am Chem Soc
Ano de publicação:
2023
Tipo de documento:
Article
País de afiliação:
Japão