Parent Tricarbollides [nido-7,8,9-C3B8H11]-, nido-7,8,9-C3B8H12, [nido-7,8,10-C3B8H11]-, and Their Derivatives
| Autor: | Ivana Cisarova, Francesc Teixidor, Drahomír Hnyk, Clara Viñas, P. V. R. Schleyer, Bohumil Štíbr, Zbyněk Plzák, Josef Holub, Jiří Fusek |
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| Rok vydání: | 1997 |
| Předmět: | |
| Zdroj: | Journal of the American Chemical Society. 119:7750-7759 |
| ISSN: | 1520-5126 0002-7863 |
| DOI: | 10.1021/ja971194u |
| Popis: | Deamination of 7-(Me3N)-nido-7,8,9-C3B8H10 (1a) leads either to the parent tricarbollide anion [nido-7,8,9-C3B8H11]- (2-) or to the neutral tricarbaborane nido-7,8,9-C3B8H12 (2a), together with a small amount of 8-Me-nido-7,8,9-C3B8H11 (2b). Di- and trisubstituted derivatives of 2a, 7-(ButMeN)-10-Me-nido-7,8,9-C3B8H10 (2c), and 7-(ButMeN)-10,11-Me2-nido-7,8,9- C3B8H9 (2d) were obtained as byproducts from the methylation of both 7-(ButNH2)-nido-7,8,9-C3B8H10 (1b) and 7-(ButMeNH)-nido-7,8,9- C3B8H10 (1c) with MeI in THF under reflux. Heating of 1a and 2- at 350 °C resulted in the rearrangement of the carbons on the open-face to give high yields of the isomeric tricarbollides 10-(Me3N)-nido-7,8,10-C3B8H10 (3a) and [nido-7,8,10-C3B8H11]- (4-), respectively. The structure of 3a was determined by an X-ray diffraction analysis, and the geometries of the parent compounds 2-, 2a, and 4- were optimized at the ab initio MP2(fc)/6-31G* level. The structures of all compounds also were secured by the excellent agreemen... |
| Databáze: | OpenAIRE |
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