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The Structures of a Tetracarba-nido-octaborane(8) and a Novel Spiro Derivative of a 2,3,5-Tricarba-nido-hexaborane(7)

✍ Scribed by Bernd Wrackmeyer; Hans-Jörg Schanz; Matthias Hofmann; Paul von R. Schleyer; Roland Boese

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
285 KB
Volume
1999
Category
Article
ISSN
1434-1948

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✦ Synopsis

Hydroboration of bis(diethylboryl)ethyne (1) with tetra-established by theoretical analysis of its NMR data. Ab initio calculations of the structures of 2b and 3b (b denotes the B-ethyldiborane(6) leads to a B-ethyl-substituted tetracarbanido-octaborane 2, a spiro-carborane 3, which belongs to the metyhl-substituted derivatives) and the comparison of calculated with experimental NMR data support the 2,3,5-tricarba-nido-carborane family, and a hexacarbaarachno-dodecaborane( 12) 4, along with polymeric material. suggested structures of 2 and 3 in solution. The calculated structure of the carborane cage of 2a also agrees with the The X-ray structure analysis of carborane 2, determined here, is fully consistent with the structure deduced earlier experimental geometry of 2. from NMR data. The structure of 3 in solution was

Results and Discussion

Scheme 1. Hydroboration of bis(diethylboryl)ethyne (1) using an excess of Et 2 BH: formation of polymers and of the carboranes 2, 3 and 4

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