Semi-empirical calculations of the zero-field-splitting parameters of the lowest triplet states of aromatic ketones
β Scribed by Hayashi, H.; Nagakura, S.
- Book ID
- 121203363
- Publisher
- Taylor and Francis Group
- Year
- 1972
- Tongue
- English
- Weight
- 417 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0026-8976
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Zero-field-splitting parameters D and E for the fullerene GO in its Jahn-Teller distorted triplet state were calculated and compared to recent experimental results. The E value vanishes due to symmetry, while we obtained a non-zero k) value of D = -0.009 cm-' in the Ds distorted lowest triplet state
The loNest evcrted rrlplet sutc of acetone was mvestrgatcd with 3 pulsed dye-laser-cqulpped ODLIR spccfromctcr. The zero-field sph!rrng parametcrsD = 4 8 CHz and E = 1.3 GHz compare favourably with a recent ab IIUIIO cslculatlon on bent lrlplet formaldehyde. The kmelx data mdlcale a surprlungly smal