The S-band ESR spectrum of the "'SC-molecule was observed in neon and arson matrices at 4 K. Two fine-structure transitions with extensive '5Sc(f = 7/Z) h&Mine structure were analyzed to establish that the ground state of SC?, is 'S. The h~pcrfine parameters were shown to be in essential agreement w
The ground-state H3 molecule
β Scribed by Jonathan Tennyson
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 341 KB
- Volume
- 86
- Category
- Article
- ISSN
- 0009-2614
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## Abstract STOβ3G calculations show that the nitrocyclopropyl anion prefers a triplet ground state with a tetrahedral C(Ξ±)βatom and a perpendicular orientation of the threeβmembered ring and the NO~2~βgroup, **1**β90Β° __(Table 1)__. This unusual result is in agreement with recent experimental find
parameters was carried out by the method of least squares with anisotropic temperature factors. After the final cycle including all observed F(hkl) the factor R had a value 0.10. X-ray crystallographic investigation showed, that the previously unobserved structure of a dicubane is in fact present. T