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

✍ Scribed by Hemant K. Sinha; Osama K. Abou-Zied; Ronald P. Steer

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 349 KB
Volume: 201
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85097-8

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✦ Synopsis

Electric field-induced changes in the absorption spectrum (electrochromism) have been used to obtain the ground (S,) and second excited (S,) state dipole moments of two sulphur-containing heteroaromatics, pyranthione and xanthione, which have Czy symmetry. The magnitude of the change in the dipole moment (Ap= Ir(Sz) -p&) I ) 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 S& transition is parallel to the direction of the ground state dipole moment (R), i.e. along the C, axis which contains the C-S bond. For comparison the ground state dipole moments ofboth compounds have also been calculated using the AM 1 method will full geometry optimization.

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