Abstract
AbstractNon‐cyclic and cyclic silyl‐substituted 1, 2‐dicarba‐closo‐dodecaborane(12) derivatives were prepared mainly by salt elimination methods. Several known and new compounds were structurally characterized by X‐ray analysis in the solid state and by mulinuclear magnetic resonance (1H, 11B, 13C, 29Si, 77Se, and 125Te NMR) in solution. This includes the 1, 2‐bis(trimethylsilyl) and 1, 2‐bis(chlorodimethylsilyl) derivatives as examples for non‐cyclic compounds and a series of 1, 1, 3, 3‐tetramethyl‐4, 5‐[1, 2‐dicarba‐closo‐dodecaborano(12)]‐1, 3‐disila‐2‐element‐cyclopentanes (element = S, Se, Te). Numerous spin‐spin coupling constants were determined together with their signs. Molecular gas phase geometries for most compounds studied were optimized by calculations [B3Lyp/6‐311+G(d, p)], and NMR parameters were calculated at the same level of theory. The conversion of silyl‐substituted ortho‐carboranes into their respective 7, 8‐dicarba‐nido‐undecaborate(1‐) derivatives was explored successfully for several examples.
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