Revision of nido-2,6-C2B7H11 to the arachno-4,5-C2B7H13 structure. Determination of the structure from NMR spectra and chemical origin
- 1 January 1988
- journal article
- Published by Institute of Organic Chemistry & Biochemistry in Collection of Czechoslovak Chemical Communications
- Vol. 53 (11) , 2742-2752
- https://doi.org/10.1135/cccc19882742
Abstract
The assymetric C2B7 carborane held until the present for 2,6-C2B7H11, is in reality the arachno-4,5-C2B7H13 carborane (I) with two adjacent B-H-B bridges, one BH2, one CH2 and one CH group in the hexagonal open-face. The arrangement of the boron network was determined on the basis of the 11B, 11B-11B COSY, 1H and 13C NMR spectra and on the T1(B) study. The connection of B- with C-skeletal atoms was deduced from the positions of deuterium in the deutero analogs prepared by the CH2O/D3O+ degradation of three selectively deuterated nido-[7,8-C2B9H12]- anions. A selective transmission of D from CD2O to the B(9) vertex in the course of the CD2O/D3O+ degradation was observed. The structure of arachno-4,5-C2B7H13 is consistent with the different pathways of its preparation.Keywords
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