| 148731-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 148731-94-6
• 化学式: C₄₂H₄₂GePb
• 分子量: 826.585
• InChiKey: QINYFXVQMDGMHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.26
• 重原子数：
  44.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  、 三苯基溴化锗 以 四氢呋喃 、 乙醚 为溶剂， 以34%的产率得到
  参考文献：
  名称：

  On Mixed Group 14-Group 14 Bonds. 8. Asymmetrically Substituted Compounds Ar3PbGeAr'3 and Ar3PbPbAr'3: Comparison of Structure and Physical Behavior in the Series of Bonds Sn-Sn, Pb-Ge, Pb-Sn, and Pb-Pb

  摘要：

  A general procedure for the synthesis of hexaarylated compounds of the type Ar3PbGeAr's from Ar3PbLi and Ar'3GeX in THF/ether at -60-degrees-C is given. Likewise, from Ar3PbLi and Ar'PbI the asymmetrical diplumbanes Ar3PbPbAr3 could be prepared. By the use of the bulky groups Ar and Ar', the migration of aryl groups could be suppressed, avoiding the appearance of the mixtures Pb2Ar6-nAr'n (n = 0-6). Nonetheless, the resulting diplumbanes Ar3Pb-PbAr'3 were always partially contaminated with some symmetric Pb2Ar6 and Pb2Ar'6. The structures of (p-Tol)3PbGePh3 (triclinic, space group P1BAR; a = 9.983(1) b = 12.201(1) c = 15.728(2) angstrom; alpha = 95.73(1), beta = 103.56(1), gamma = 113.06(1)degrees; V = 1674(1) angstrom3; Z = 2; R = 0.0434) and (p-Tol)3PbGe-(p-Tol)3 (trigonal, space group R3BAR; a = 13.338(1), c = 36.55(1) angstrom; V = 5631(2) angstrom3; Z = 6; R = 0.0522) have been determined. NMR chemical shifts delta(Sn-119) and delta(Pb-207) (40 compounds) and one-bond couplings 1J(M-M') (16 compounds), stretching vibrations nu(M-M') and force constants f(M-M') for a diatomic oscillator (38 compounds), and bond distances d(M-M') (18 compounds) are compared for all six combinations M/M' = Ge/Sn/Pb of Ar3M-M'Ar'3. Concerning the asymmetric diplumbanes Ar3Pb-PbAr'3, assignments of delta(Pb-207) resulted from a consideration of inductivity (comparison to PbAr4/Ar'4) and an assumed order of charge flow DELTA(Ar <-> Ar') (13 compounds). Sequences exist for delta(Sn-119) (Pb-Sn > Sn-Sn greater-than-or-equal-to Sn-Ge), delta(Pb-207) (Pb-Pb > Pb-Sn almost-equal-to Pb-Ge), f (Sn-Ge > Sn-Sn greater-than-or-equal-to Pb-Sn, and Pb-Ge > Pb-Sn greater-than-or-equal-to Pb-Pb), d (Sn-Ge less-than-or-equal-to Pb-Ge < Sn-Sn less-than-or-equal-to Pb-Sn less-than-or-equal-to Pb-Pb) and reduced spin-spin couplings 1K (Pb-Sn > Sn-Sn > Pb-Pb ''scatter''). The polarities Pb(delta-)-Ge(delta+) and Pb(delta-)-Sn(delta+) are obvious. The enhanced electronegativity of lead demonstrates the influence of its relativistically contracted 6s and 6p orbitals. With regard to Ar3Pb-PbAr'3, a relation between 1K(Pb-Pb) and the charge flow DELTA(Ar <-> Ar') is indicated.

  DOI：

  10.1021/om00019a033