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Molecular Structures of a 1,5‐Diselena‐2,4‐disila‐3‐oxa‐cycloheptane Derivative and a Diselane. Behavior of the Mixture Containing 1,2‐Dilithio‐ and 1,2‐Bis(lithioseleno)‐1,2‐dicarba‐ closo ‐dodecaborane(12)
Author(s) -
Wrackmeyer Bernd,
Klimkina Elena V.,
Milius Wolfgang
Publication year - 2011
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201100240
Subject(s) - cycloheptane , chemistry , derivative (finance) , icosahedral symmetry , hydrolysis , crystallography , reagent , stereochemistry , computational chemistry , ring (chemistry) , organic chemistry , financial economics , economics
Attempts to prepare a reagent containing the 1‐lithioseleno‐2‐lithio‐1,2‐dicarba‐ closo ‐dodecaborane(12) were only partially successful. The non‐cyclic 1‐trimethysilylseleno‐2‐trimethysilyl‐1,2‐dicarba‐ closo ‐dodecaborane(12) could be obtained in mixtures, and a corresponding diselane, formed by hydrolysis/oxidation could be isolated and characterized by X‐ray structural analysis. However, the synthesis of related heterocycles failed. Instead, cyclic species derived in principle from 1,2‐dilithio‐ and the 1,2‐bis(lithioseleno)‐1,2‐dicarba‐ closo ‐dodecaborane(12) were isolated and characterized. This led to a new 1,5‐diselena‐2,4‐disila‐3‐oxa‐cycloheptane derivative, for which the structure in solution was confirmed by NMR spectroscopy ( 1 H, 13 C, 29 Si, 77 Se NMR) and DFT calculations [B3LYP/6‐311+G(d,p)], and the molecular solid‐state structure was determined by X‐ray diffraction.