Abstract
The solvent effect on the excited states of
streptopolymethinemerocyanine (SPMC) was investigated using the
RISM-SCF method. The magnitudes of the shifts in both the
π–π* and n–π* excitation energies caused by
solvation were water > methanol > acetonitrile. The analysis of
the solvation structure showed that the difference in the interactions
between SPMC and solvent molecules produced this order. The
correlation between the chain length and the solvent effect on the
excitation energy was also investigated. The results showed the
excitation energy shift caused by solvation to be nearly equal
regardless of the chain length.