Ground- and First-Excited-Singlet-State Electric Dipole Moments of Some Photochromic Spirobenzopyrans in Their Spiropyran and Merocyanine Form †
✍ Scribed by Bletz, M.; Pfeifer-Fukumura, U.; Kolb, U.; Baumann, W.
- Book ID
- 127332490
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 65 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
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📜 SIMILAR VOLUMES
Ground and first escited singlet state electric rr dipolc pohrimbilitics for a set of 13 N-retinylidene derivatives arc reported. The cnlculntions arc made by means of second order perturbation theory with Hkckcl state functions as a basis.
## Abstract Ground and excited singlet state dipole electric π polarizabilities of a set of conjugated molecules are calculated. Second order perturbation theory is used in the Epstein–Nesbet and Möller–Plesset versions. Hückel and SCF‐LCAO‐MO are used alternatively as a basis. The Möller–Plesset–S