Solvent effects on electronic structures of coumarin 153

Parallel studies by means of spectroscopy and RISM-SCF calculations

Katsura Nishiyama, Yasuhiro Watanabe, Norio Yoshida, Fumio Hirata

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article numberSA016
Journaljournal of the physical society of japan
Volume81
Issue numberSUPPL. A
DOIs
Publication statusPublished - Jan 1 2012
Externally publishedYes

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self consistent fields
electronic structure
shift
spectroscopy
polarity
dipole moments

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Solvent effects on electronic structures of coumarin 153 : Parallel studies by means of spectroscopy and RISM-SCF calculations. / Nishiyama, Katsura; Watanabe, Yasuhiro; Yoshida, Norio; Hirata, Fumio.

In: journal of the physical society of japan, Vol. 81, No. SUPPL. A, SA016, 01.01.2012.

Research output: Contribution to journalArticle

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