perfluorobifenylenemercury | 62983-79-3

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: perfluorobifenylenemercury
• 英文别名: octafluorobiphenylenemercury；3,4,5,6,10,11,12,13,16,17,18,19,23,24,25,26,29,30,31,32,36,37,38,39-tetracosafluoro-8,21,34-trimercuraheptacyclo[33.4.0.02,7.09,14.015,20.022,27.028,33]nonatriaconta-1(39),2,4,6,9,11,13,15,17,19,22,24,26,28,30,32,35,37-octadecaene
• CAS: 62983-79-3
• 化学式: C₃₆F₂₄Hg₃
• 分子量: 1490.13
• InChiKey: BVWSOMWZQRBKBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.44
• 重原子数：
  63.0
• 可旋转键数：
  0.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  perfluorobifenylenemercury 在 碘 作用下， 反应 4.0h， 以89%的产率得到2,2'-diiodo-octafluoro-biphenyl
  参考文献：
  名称：

  Some reactions of phenylene-and polyphenylene-mercurials

  摘要：

  DOI：

  10.1016/0022-328x(86)82072-1
• 作为产物：
  描述：

  100.0~120.0 ℃ 、6.67 Pa 条件下， 反应 2.0h， 以100%的产率得到perfluorobifenylenemercury
  参考文献：
  名称：

  Coordination Chemistry of Mercury-Containing Anticrowns. Complexation of Perfluoro-o,o′-biphenylenemercury witho-Xylene and Acetonitrile and the First X-ray Diffraction Evidence for Its Trimeric Structure

  摘要：

  The paper reports the first X-ray diffraction data evidencing the cyclic trimeric structure of the earlier synthesized octafluoro-o,o'-biphenylenemercury (8), being of considerable interest as a potential anticrown. The conclusion on the trimeric (o,o'-C6F4C6F4Hg)(3) structure of this mercuracycle is based on an X-ray structural analysis of its o-xylene and acetonitrile complexes {[(o,o'-C6F4C6F4Hg)(3)](o-Me2C6H4)(2)} (9) and {[(o,o'-C6F4C6F4Hg)(3)](MeCN)(3)} (10), which were obtained from 8 in an analytically pure state and fully characterized. Complex 9 contains two o-xylene species per one molecule of 8 and forms in the crystal infinite chains consisting of alternating mercuramacrocycle units and bridging o-xylene ligands. One more o-xylene molecule in each macrocyclic fragment of the chain serves as a terminal ligand. Both bridging and terminal molecules of o-xylene are coordinated in all cases with only one Hg site of the corresponding mercuracycle. The back transformation of complex 9 into 8 and o-xylene occurs on its heating in a vacuum at 100120 degrees C for 2 h. In contrast to 9, complex 10, containing three acetonitrile ligands per one molecule of 8, has a discrete structure in the crystal. In this complex, two of three acetonitrile species are bonded to one and the same Hg center of 8, whereas the third MeCN species is coordinated with the other Hg atom of the mercuramacrocycle.

  DOI：

  10.1021/acs.organomet.5b00088

文献信息

• Substituted phenylene- and biphenylene-mercurials
  作者：N.A.A. Al-Jabar、A.G. Massey

  DOI：10.1016/0022-328x(84)80571-9

  日期：1984.10
• AL-JABAR, N. A. A.;MASSEY, A. G., J. ORGANOMET. CHEM., 1984, 275, N 1, 9-18
  作者：AL-JABAR, N. A. A.、MASSEY, A. G.

  DOI：——

  日期：——
• MASSEY A. G.; AL-JABAR N. A. A.; HUMPHRIES R. E.; DEACON G. B., J. ORGANOMET. CHEM., 316,(1986) N 1-2, 25-39
  作者：MASSEY A. G.、 AL-JABAR N. A. A.、 HUMPHRIES R. E.、 DEACON G. B.

  DOI：——

  日期：——