Ground and excited state dipole moments of pyranthione and xanthione by the electro-optic method

Hemant K. Sinha, Osama K. Abou-Zied, Ronald P. Steer

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Electric field-induced changes in the absorption spectrum (electrochromism) have been used to obtain the ground (S0) and second excited (S2) state dipole moments of two sulphur-containing heteroaromatics, pyranthione and xanthione, which have C2v symmetry. The magnitude of the change in the dipole moment (Δμ = |μ(S2) - μ(S0)|) was found to be nearly 2 D for both compounds, which is consistent with results reported previously based on microscopic solvent shifts. The transition dipole moment for the S0-S2 transition is parallel to the direction of the ground state dipole moment (μg), i.e. along the C2 axis which contains the CS bond. For comparison the ground state dipole moments of both compounds have also been calculated using the AM1 method will full geometry optimization.

Original languageEnglish
Pages (from-to)433-436
Number of pages4
JournalChemical Physics Letters
Volume201
Issue number5-6
DOIs
Publication statusPublished - Jan 8 1993

Fingerprint

Dipole moment
Electrooptical effects
Excited states
Ground state
electro-optics
dipole moments
ground state
excitation
Electrochromism
electrochromism
Electron transitions
Sulfur
Absorption spectra
sulfur
Electric fields
absorption spectra
optimization
Geometry
electric fields
shift

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Ground and excited state dipole moments of pyranthione and xanthione by the electro-optic method. / Sinha, Hemant K.; Abou-Zied, Osama K.; Steer, Ronald P.

In: Chemical Physics Letters, Vol. 201, No. 5-6, 08.01.1993, p. 433-436.

Research output: Contribution to journalArticle

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