A Spirocyclic Borate and a Dihydroborate Derived from the 1,2-Diselenolato-1,2-dicarba-closo-dodecaborane(12) Dianion [1,2-(1,2-C2B10H10)Se2]2–: Structures, NMR Spectroscopy, and DFT Calculations
作者： Bernd Wrackmeyer , Elena V. Klimkina , Wolfgang Milius
关键词:
摘要: The reaction of the diselenolato-1,2-dicarba-closo-dodecaborane(12) dianion with BF3–OEt2 affords selectively a spirocyclic bis(1,2-dicarba-closo-dodecaborane-1,2-diselena)borate, whereas analogous boron trichloride leads mainly to 1,2-bis(ethylseleno)-1,2-dicarba-closo-dodecaborane(12) through ether cleavage. borate reacts methanol by cleavage both Se–B and Se–C bonds. With borane in THF (BH3/THF) also LiBH4 exchange reactions take place, which afford 1,2-dicarba-closo-dodecaborane-1,2-diselenadihydroborate. molecular structures borates as tetrabutylammonium salts were determined X-ray analysis. In solution, characterized multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 77Se). gas-phase geometries anions optimized [RB3LYP/6-3111+G(d,p) level theory], NMR spectroscopic parameters (chemical shifts coupling constants) calculated.
sci-hub.se 参考文章(41)
B. Wrackmeyer, Hong Yan, W. Milius, M. Herberhold, Metal-induced B-H activation in Cp*Rh, Cp*Ir, (p-cymene)Ru, and (p-cymene)Os half-sandwich complexes containing the 1,2-dicarba-closo-dodecaborane(12)-1,2-dichalcogenolato ligand Russian Chemical Bulletin. ,vol. 50, pp. 1518- 1524 ,(2001) , 10.1023/A:1013005728363
Helmut Duddeck, Selenium-77 nuclear magnetic resonance spectroscopy Progress in Nuclear Magnetic Resonance Spectroscopy. ,vol. 27, pp. 1- 323 ,(1995) , 10.1016/0079-6565(94)00005-F
Bernd Wrackmeyer, Zureima García Hernández, Rhett Kempe, Max Herberhold, Diselenastanna-, -sila- and -carbacycles with an annelated dicarba-closo-dodecaborane(12) unit Applied Organometallic Chemistry. ,vol. 21, pp. 108- 116 ,(2007) , 10.1002/AOC.1181
Xu-Qiong Xiao, Yue-Jian Lin, Guo-Xin Jin, Approaches to trinuclear half-sandwich carbene complexes containing 1,2-dicarba-closo-dodecaboranes Dalton Transactions. pp. 2615- 2619 ,(2008) , 10.1039/B802458H
Shuyi Cai, YueJian Lin, Guo-Xin Jin, Heterometallic cluster complexes (RhMo, RhW) containing bridging 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands Dalton Transactions. pp. 912- 918 ,(2006) , 10.1039/B511096C
Hampton D. Smith, Leo F. Hohnstedt, The synthesis and reactions of 1,2-(2'-substituted 1',3',2'-dithiabora)-o-carboranes Inorganic Chemistry. ,vol. 7, pp. 1061- 1066 ,(1968) , 10.1021/IC50064A004
M Herberhold, 16- and 18-Electron Cp*Rh complexes with 1,2-dicarba-closo-dodecaborane(12)-1,2-dichalcogenolato ligands, as studied by multinuclear magnetic resonance Journal of Organometallic Chemistry. ,vol. 587, pp. 252- 257 ,(1999) , 10.1016/S0022-328X(99)00330-7
Bernd Wrackmeyer, Zureima García Hernández, Max Herberhold, 1‐Cyclohepta‐2,4,6‐trienyl‐selanes—a 77Se NMR study: Indirect nuclear 77Se ? 13C spin–spin coupling constants and application of density functional theory (DFT) calculations Magnetic Resonance in Chemistry. ,vol. 45, pp. 198- 204 ,(2007) , 10.1002/MRC.1946
Bernd Wrackmeyer, Elena V. Klimkina, Wolfgang Milius, Tobias Bauer, Rhett Kempe, Synthesis and Reactivity of 4,5‐[1,2‐Dicarba‐closo‐dodecaborano(12)]‐1,3‐diselenacyclopentane: Opening of the Icosahedron to Give a Zwitterionic Intermediate and Conversion into 7,8‐Dicarba‐nido‐undecaborate(1−) Chemistry: A European Journal. ,vol. 17, pp. 3238- 3251 ,(2011) , 10.1002/CHEM.201002277
Anna Laromaine, Francesc Teixidor, Raikko Kivekäs, Reijo Sillanpää, Rajae Benakki, Bohumir Grüner, Clara Viñas, Synthesis, reactivity and structural studies of carboranyl thioethers and disulfides. Dalton Transactions. pp. 1785- 1795 ,(2005) , 10.1039/B502328A