Semiempirical PM3-RHF-CI calculations were used to probe structure-exchange coupling relationships in radical-substituted Zn(II) porphyrins. The results support a number of important design elements for creating high-spin molecules from metalloporphyrins and the corresponding pi-cation radicals. The
β¦ LIBER β¦
Tuning the intramolecular spin coupling in metalloporphyrin cation radicals
β Scribed by C. Barzilay; S.A. Sibilia; T.G. Spiro; Z. Gross
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 58 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0162-0134
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