An unexpected rearrangement of carbon vertexes in the tricarbollide series. Asymmetrical 7-aryl-nido-7,8,9-C3B8H11 derivatives

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F16%3A00456958" target="_blank" >RIV/61388980:_____/16:00456958 - isvavai.cz</a>
Alternative codes found
RIV/00216275:25310/16:39901646
Result on the web
<a href="http://dx.doi.org/10.1016/j.jorganchem.2016.01.006" target="_blank" >http://dx.doi.org/10.1016/j.jorganchem.2016.01.006</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jorganchem.2016.01.006" target="_blank" >10.1016/j.jorganchem.2016.01.006</a>

Result language
angličtina
Original language name
An unexpected rearrangement of carbon vertexes in the tricarbollide series. Asymmetrical 7-aryl-nido-7,8,9-C3B8H11 derivatives
Original language description
Thermal rearrangement of the Na+[8-R-nido-7,8,9-C3B8H10] salts (R = Ph, p-tol, and 2-naph = 2-napthhyl), followed by protonation with conc. H2SO4, proceeds via an unexpected 8 7 rearrangement of the cluster RC unit under the formation of the neutral 7-R-nido-7,8,9-C3B8H11 tricarbollides. A C-vertex swing mechanism, involving an unstable 2,7,8-intermediate, was proposed for this rearrangement and substantiated via MP2/6-31G*calculations. Removal of the bridging hydrogen from 7-R-nido-7,8,9-C3B8H11 with Et3N leads to the Et3NH+ salts of the corresponding [7-R-nido-7,8,9-C3B8H10] anions. All the compounds isolated were characterized by multinuclear (11B, 1H, and 13C) NMR spectroscopy and the structures of the simplest 7-Me derivatives were optimized at the MP2/6-31G*level of theory, the structures being verified by GIAO-MP2 computations. The structure of the starting 8-(p-tol)-nido-7,8,9-C3B8H11 was determined by an X-ray diffraction study.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
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Project
<a href="/en/project/GAP207%2F11%2F0705" target="_blank" >GAP207/11/0705: Carborane-modified iron-arene complexes</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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