期刊
JOURNAL OF ORGANOMETALLIC CHEMISTRY
卷 695, 期 9, 页码 1337-1345出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jorganchem.2010.02.011
关键词
Monocarba-closo-dodecaborates; Alkynes; Boron; NMR spectroscopy; Structure elucidation
资金
- Fonds der Chemischen Industrie (FCI)
Cesium and tetraethylammonium salts of the ethynyl functionalized monocarba-closo-dodecaborate anions [12-HCC-closo-1-CB11H11] and [7,12-(HCC)2-closo-1-CB11H10] were obtained by desilylation of [(EtN)-N-4][12-Me3SiCC-closo-1-CB11H11] and [Et4N][7,12-(Me3SiCC)(2)-closo-1-CB11H10], respectively. Their thermal properties were examined by differential scanning calorimetry. The compounds were characterized by multi-NMR, IR, and Raman spectroscopy, (-)-MALDI mass spectrometry, and elemental analysis. Single-crystals of Cs[12-HCC-closo-1-CB11H11] and [Et4N][7,12-(HCC)(2)-closo-1-CB11H10] were studied by X-ray diffraction. The discussion of the spectroscopic and structural properties is supported by data derived from theoretical calculations using density functional theory as well as perturbation theory. (C) 2010 Elsevier B. V. All rights reserved.
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