Ab initio study on photoconductivity and electronic structures of unsymmetrical squaraine dyes

作者：Mang CY^*; Zhou LX; Zhang YF; Yang E

来源：Acta Chimica Sinica, 2001, 59(6): 847-852.

• unsymmetrical squaraires
• intramolecular charge - transfer
• ab initio
• photoconductivity

The geometries of eight unsymmetrical squaraine dyes have been optimized by ab initio method at the 6 - 31G (d, p) basis set. The quantitative relationships between their intramolecular charge - transfer degrees and their dark decay values, their photosensitivity, and the largest wavelengths of their absorption spectra have been studied. The results indicate that their intramolecular charge - transfer characteristics is an important factor which affects their photoconductivity and the largest wavelengths of their absorption spectra.

• 出版日期2001
• 单位福州大学