1384272-39-2Relevant academic research and scientific papers
Molecular structures, reactivity, and NMR spectroscopic studies of cyclic and non-cyclic silyl-substituted 1, 2-dicarba-closo-dodecaborane(12) derivatives
Wrackmeyer, Bernd,Klimkina, Elena V.,Milius, Wolfgang
, p. 1080 - 1092 (2012/07/16)
Non-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.
