Research Article
Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands
Table 4
Selected absorption spectral properties of Fe(II)-based complexes (1, 4, and 6) and Ru(II)-based complexes (N3, black dye, and N886) in different organic solventsa,b.
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aFe(II)-based complexes are obtained from calculations at the B3LYP/6-31G* level, while Ru(II)-based complexes are obtained from experiments. represents maximum absorption band; represents calculated oscillator strength (arb. unit) for Fe(II)-based complexes, and represents experimental molar extinction coefficient (M−1 cm−1) for Ru(II)-based complexes. |