Trimethyl-[3,4,5-tris(trimethylsilyl)-1-germatetracyclo[2.1.0.01,3.02,5]pentan-2-yl]silane | 1440660-62-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Trimethyl-[3,4,5-tris(trimethylsilyl)-1-germatetracyclo[2.1.0.01,3.02,5]pentan-2-yl]silane
• CAS: 1440660-62-7
• 化学式: C₁₆H₃₆GeSi₄
• 分子量: 413.394
• InChiKey: SWJNNBLZXJNDII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.96
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• 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

• 作为产物：
  描述：

  germanium(II) chloride dioxane 、 tetrakis(trimethylsilyl)cyclobutadiene dilithium salt 以 四氢呋喃 为溶剂， 反应 0.5h， 以96%的产率得到Trimethyl-[3,4,5-tris(trimethylsilyl)-1-germatetracyclo[2.1.0.01,3.02,5]pentan-2-yl]silane
  参考文献：
  名称：

  金字塔：离子化合物的共价形式

  摘要：

  Pyramidane and its derivatives are among the most desirable synthetic chemistry targets, whose appealing square-pyramidal design, fascinating nonclassical structure, and unusual bonding features have attracted the permanently growing interest of organic chemists for decades. Although they have been comprehensively approached on theoretical grounds, no member of the pyramidane family was experimentally realized until very recently, thus remaining one of the biggest synthetic challenges for experimental pursuits. In this paper, we report on a series of stable hybrid pyramidanes of group 14 elements, featuring germanium, tin, or lead at the apex of the square pyramid, capping the four-membered-ring base made of carbon, silicon, or germanium atoms. On the basis of the experimental results (X-ray diffraction and NMR and Mossbauer spectroscopy) and computational studies at the B3LYP/Def2TZVP level of theory (MO, NBO, NRT, and AIM), an extraordinarily high degree of ionicity of the pyramidal apex-to-base bonds was attributed to the overall structure of these nonclassical covalent compounds.

  DOI：

  10.1021/acs.organomet.5b00924

文献信息

• Pyramidanes
  作者：Vladimir Ya. Lee、Yuki Ito、Akira Sekiguchi、Heinz Gornitzka、Olga A. Gapurenko、Vladimir I. Minkin、Ruslan M. Minyaev

  DOI：10.1021/ja403173e

  日期：2013.6.19

  Pyramidane is an elusive but highly desirable target for synthetic chemists that has attracted a great deal of attention because of its nonclassical structure and unusual bonding features. Although well studied on theoretical grounds, neither the parent all-carbon pyramidane nor its derivatives containing heavier group 14 elements have ever been isolated and characterized. In this Communication, we report on the synthesis and structural elucidation of the first stable representatives of this class of highly strained polyhedral compounds: germa- and stannapyramidanes Ge[C-4(SiMe3)(4)] and Sn[C-4(SiMe3)(4)]. The peculiar structural and bonding features of these compounds are verified by combined experimental and computational analyses, showing these derivatives to be nonclassical neutral compounds with a very large contribution of ionic character.