✦ LIBER ✦
Computer simulation of lanthanide induced shifts (LIS) in bifunctional substrates. Geometry of europium-quinone complexes
✍ Scribed by M. C. Aversa; P. Giannetto; A. Saija
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 492 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
By observing the shifts of the 'H NMR signals of 1,4-benzoquinones induced by Eu(fod),, and simulating them with the aid of a novel computer program TWOCEN, it has been shown that the two carbonyl groups of 1,4-toluquinone and 2,6-dimethyl-1,4-benzoquinoue compete in the Eu coordination. The metal binds at two sites on both the carbonyl groups, with 4-CO having a greater complexing ability with respect to 1-CO, in line with steric and electronic considerations.