Dithieno-Fused Polycyclic Aromatic Hydrocarbon with a Pyracylene Moiety: Strong Antiaromatic Contribution to the Electronic Structure.
Org Lett
; 19(4): 826-829, 2017 02 17.
Article
em En
| MEDLINE
| ID: mdl-28133961
ABSTRACT
A synthetic route to dithieno-fused CP-PAHs with a pyracylene segment is reported. A combination of experimental and theoretical studies revealed a strong contribution of antiaromatic character to the electronic structure of this dithieno-fused CP-PAH. Anisotropy of current-induced density (ACID) calculations indicated a significantly increased paramagnetic ring current on the two pentagonal rings, which is more prominent than that of the dibenzo-fused analogue. Furthermore, enhanced electron affinity and a consequently decreased HOMO-LUMO gap were observed for this dithieno-fused CP-PAH.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Org Lett
Assunto da revista:
BIOQUIMICA
Ano de publicação:
2017
Tipo de documento:
Article
País de afiliação:
Japão