TY - JOUR
T1 - Solvent effects on electronic structures of coumarin 153
T2 - Parallel studies by means of spectroscopy and RISM-SCF calculations
AU - Nishiyama, Katsura
AU - Watanabe, Yasuhiro
AU - Yoshida, Norio
AU - Hirata, Fumio
PY - 2012/1/1
Y1 - 2012/1/1
N2 - We have applied RISM-SCF theory to calculate dipole moments and Stokes shift values of coumarin 153 in solvents with various polarities. We then compare the theoretical results with those from steady-state spectroscopy we also have performed presently. The theoretical calculations capture general features of experimental results, at least in a qualitative level. The RISM-SCF framework is shown to have potential applicability to elucidate solvent-dependent specific characters of the Stokes shift observed by spectroscopy.
AB - We have applied RISM-SCF theory to calculate dipole moments and Stokes shift values of coumarin 153 in solvents with various polarities. We then compare the theoretical results with those from steady-state spectroscopy we also have performed presently. The theoretical calculations capture general features of experimental results, at least in a qualitative level. The RISM-SCF framework is shown to have potential applicability to elucidate solvent-dependent specific characters of the Stokes shift observed by spectroscopy.
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U2 - 10.1143/JPSJS.81SA.SA016
DO - 10.1143/JPSJS.81SA.SA016
M3 - Article
AN - SCOPUS:84866383426
SN - 0031-9015
VL - 81
JO - journal of the physical society of japan
JF - journal of the physical society of japan
IS - SUPPL. A
M1 - SA016
ER -