butyl(trimethylsilyl)selane | 34044-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: butyl(trimethylsilyl)selane
• 英文别名: n-BuSe(SiMe3)；(Butylselenyl)-trimethylsilan；Trimethyl-butylselenosilane；butylselanyl(trimethyl)silane
• CAS: 34044-18-3
• 化学式: C₇H₁₈SeSi
• 分子量: 209.265
• InChiKey: IZFYJGLMEBKFRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  butyl(trimethylsilyl)selane 在 甲醇 作用下， 反应 0.17h， 以2.9 g的产率得到Butan-1-selenol
  参考文献：
  名称：

  Herzog, Journal fur Praktische Chemie (Weinheim), 2000, vol. 342, # 4, p. 379 - 388

  摘要：

  DOI：
• 作为产物：
  描述：

  Butan-1-selenol 、 二(三甲基硅基)碳酰二亚胺 以 苯 为溶剂， 生成 butyl(trimethylsilyl)selane
  参考文献：
  名称：

  Dergunov,Yu.I. et al., Journal of general chemistry of the USSR, 1972, vol. 42, p. 361 - 362

  摘要：

  DOI：

文献信息

• 1-Cyclohepta-2,4,6-trienyl-selanes—a77Se NMR study: Indirect nuclear77Se13C spin–spin coupling constants and application of density functional theory (DFT) calculations
  作者：Bernd Wrackmeyer、Zureima García Hernández、Max Herberhold

  DOI：10.1002/mrc.1946

  日期：2007.3

  selanes even in dilute solutions and at low temperature, they could be characterised by their 1H, 13C and 77Se NMR parameters. Coupling constants 1J(77Se,13C) were measured and calculated by DFT methods at the B3LYP/6‐311+G(d,p) level of theory. The comparison of experimental and calculated coupling constants 1J(77Se,13C) included numerous selenium carbon compounds with largely different SeC bonds, revealing

  1-Cycleheta-2,4,6-trienyl-selanes Se(C7H7)2 (2c), RSe ，其中 R = Bu, tBu, Ph, 4-FC6H4 (12a,b,c,d)通过相应的硅烷 Si(SeMe3)2 和 RSeSiMe3 分别与溴化托鎓 Br 反应制备。尽管即使在稀溶液和低温下，硒烷的稳定性也很低，但它们的 1H、13C 和 77Se NMR 参数可以对其进行表征。耦合常数 1J(77Se,13C) 通过 DFT 方法在 B3LYP/6-311+G(d,p) 理论水平上测量和计算。实验和计算耦合常数的比较 1J(77Se,13C) 包括许多硒碳化合物，它们具有很大不同的 SeC 键，揭示了令人满意的一致性。自旋-偶极子 (SD) 和顺磁自旋轨道 (PSO) 项都对自旋-自旋耦合相互作用有显着贡献，除了费米接触 (FC) 项。版权所有 © 2006
• Novel Photophysical Properties of Gold Selenide Complexes:  Photogeneration of Singlet Oxygen by [Au₁₈Se₈(dppe)₆]Br₂ and Near-Infrared Photoluminescence of [Au₁₀Se₄(dpppe)₄]Br₂
  作者：Sergei Lebedkin、Timo Langetepe、Paloma Sevillano、Dieter Fenske、Manfred M. Kappes

  DOI：10.1021/jp021100p

  日期：2002.9.1

  The photoluminescence (PL) properties of several recently synthesized ligand-stabilized polynuclear gold(I) selenide complexes were investigated. [Au18Se8(dppe)(6)]Br-2 dppe = bis(diphenylphosphanyl) ethane}, (I) is distinguished by the bright-red long-lived PL (phosphorescence) in the solid state, photosensitization of singlet oxygen, O-1(2), in solution, and high photostability. The quantum yield of PL, phi(PL), is (7.5 +/- 0.5) x 10(-2) for the polycrystalline I at 293 K (determined using an integrating sphere) and increases up to similar to0.8 at 77 K. The quantum yield Of O-1(2) is 0.17 +/- 0.02 in O-2-saturated dichloromethane solutions. [Au10Se4(dpppe)(4)]Br-2 dpppe = bis(diphenylphosphanyl)pentane} (II) shows a broad near-infrared PL at 880 nm in dichloromethane [(phi(PL), = (4 1) x 10(-3)], which is shifted up to similar to1020 nm in the solid II at 77 K (psi(PL) similar to 3 x 10(-3)). Although the quantum efficiency of II as a luminophor is quite moderate, it is comparable to that of organic infrared laser dyes such as Styryl-20 and IR26. A particular configuration of the Au10Se4 core appears to be crucial for the near-infrared PL: the "isomeric" complexes [Au10Se4(dppm)(4)]Br-2 dppm = bis(diphenylphosphanyl) methane} (III) and [Au10Se4(depe)(4)]Cl-2 depe = bis(diethylphosphanyl) ethane} (IV) show no significant PL.
• Fenske, Dieter; Zhu, Nianyong; Langetepe, Timo, Angewandte Chemie - International Edition, 1998, vol. 37, # 19, p. 2640 - 2644
  作者：Fenske, Dieter、Zhu, Nianyong、Langetepe, Timo

  DOI：——

  日期：——
• Synthesis and Structures of Silver–Selenide Cluster Complexes [Ag4(SeiPr)4(dppm)2], [Ag8(SeEt)8(dppp)]∞, [Ag28Se6(SenBu)16(dppp)4], and [Ag124Se57(SePtBu2)4Cl6(tBu2P(CH2)3PtBu2)12] This work was supported by the Deutsche Forschungsgemeinschaft (SFB 195) and the Fonds der Chemischen Industrie. dppm=bis(diphenylphosphanyl)methane, dppp=1,3-bis-(diphenylphosphanyl)propane.
  作者：Dieter Fenske、Timo Langetepe

  DOI：10.1002/1521-3773(20020118)41:2<300::aid-anie300>3.0.co;2-t

  日期：2002.1.18
• Zhu, Nianyong; Fenske, Dieter, Journal of the Chemical Society, Dalton Transactions
  作者：Zhu, Nianyong、Fenske, Dieter

  DOI：——

  日期：——