Naslov
Essential State Models for Solvatochromism in Donor−Acceptor Molecules: The Role of the Bridge

Autori
Grisanti, Luca ; D’Avino, Gabriele ; Painelli, Anna ; Guasch, Judith ; Ratera, Imma ; Veciana, Jaume

Izvornik
The Journal of Physical Chemistry B (1520-6106) 113 (2009), 14; 4718-4725

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
essential state models, charge transfer

Sažetak
Essential state models are presented to discuss absorption spectra of two related donor−acceptor (DA) chromophores that show two solvatochromic bands in the near-infrared spectral region. The two-state model only accounts for the lowest energy band and results in a very small value of μ0, the dipole moment associated with the D+A− state. The model is then extended to account for the active role of the bridge: the resulting three-state model satisfactorily reproduces the double solvatochromism, leading at the same time to a roughly doubled estimate of μ0. This result, supported by a detailed analysis of an N-state model that explicitly accounts for bridge states, rationalizes the well-known discrepancy between the geometrical DA distance and the dipole length extracted from the analysis of optical spectra of DA chromophores as reflecting the active role of bridge states, not explicitly accounted for in essential state models.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

POVEZANOST RADA