Subphthalocyanine-fused dimers and trimers: synthetic, electrochemical, and theoretical studies.
J Org Chem
; 72(8): 2967-77, 2007 Apr 13.
Article
en En
| MEDLINE
| ID: mdl-17358079
Subphthalocyanine (SubPc)-fused dimers and trimers bearing fluorine, iodine, and thioether peripheral substituents were synthesized and characterized. Absorption spectroscopy and electrochemical studies revealed (i) that the substituents have a strong effect on the electronic properties of the macrocycles and (ii) that there is good communication between the subphthalocyaninic moieties within the oligomeric structures. Theoretical calculations at DFT/6-31G(d,p) computational level and electron density studies support the experimental findings. The frontier orbitals in the dimers and trimers were also shown to be significantly altered with respect to those of SubPcs as a consequence of the extension of the conjugation associated with symmetry breaking. Time-dependent density functional theory calculations reproduced the differences observed in the UV-vis spectra of the fused dimers and the monomeric SubPcs.
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01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
J Org Chem
Año:
2007
Tipo del documento:
Article
País de afiliación:
España
Pais de publicación:
Estados Unidos