Assigned cluster 11B and 1H NMR properties of [3-(η6-C6Me6)-closo-3,1,2-RuC2B9H11]
✍ Scribed by Mark Bown; Jaromír Plešek; Karel Baše; Bohumil Štíbr; Xavier L. R. Fontaine; Norman N. Greenwood; John D. Kennedy
- Publisher
- John Wiley and Sons
- Year
- 1989
- Tongue
- English
- Weight
- 286 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
The cluster "B chemical shifts in members of the important class of closo-3,1,2-metalladicarbaboranes were previously unassigned, and their cluster 'H chemical shifts previously unmeasured. The use of 1' 'B-' 'BJ-COSY and 'H-{"B} NMR spectroscopy to measure and assign the cluster "B and 'H chemical shifts of (previously unreported) [3-(q6-C,Me,)-closo-3,1,2-RuC,B,H, as a model compound is reported. The ' 'B shielding patterns of this species and the nonmetalla simple carbaborane analogue (1,2-C2B,,H,,] are compared and briefly discussed.
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We report the geometry-optimized total energies and bond distances for the closo-carborane isomers 3,5-CzB6H8, 1,7-CzB7Hs, and 1,2-CzB7Hs calculated by the ab initio SCF MO method using the STO-3G basis set. Relative energies are compared with those of the other carborane isomers in the 8-and 9atom