[iso-S2B16H16] | 610270-18-3

• 英文名称: [iso-S2B16H16]
• CAS: 610270-18-3
• 化学式: B₁₆H₁₆S₂
• 分子量: 253.235
• InChiKey: JLYBCOPBVZFBGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [iso-S2B16H16] 在 air 作用下， 以 not given 为溶剂， 生成 nido-7-SB10H12
  参考文献：
  名称：

  Macropolyhedral boron-containing cluster chemistry. Aspects of the S2B16H16 system. Preparation, structure, NMR spectroscopy and isomerism

  摘要：

  Thermolysis of [arachno-4-SB8H12] (1) in boiling cyclohexane gives two isomers 2 and 3 of 18-vertex [S2B16H16], together with known 12-vertex [closo-1-SB11H11] (4) and known 11-vertex [nido-7-SB10H12] (5). Compounds 2 and 3 are characterised by single-crystal X-ray diffraction analyses and single- and double-resonance B-11- and H-1-NMR spectroscopy. The [n-S2B16H16] isomer 2 takes the form of nido ten-vertex: nido ten-vertex [anti-B18H22] with the 9 and 9' positions occupied by S vertices, whereas the [iso-S2B16H16] isomer 3 takes the form of a nido 11-vertex {SB10} subcluster fused via a common two-boron edge to a nido-type {B-8} subcluster that is additionally linked exo to the {SB10} subcluster by a bridging S atom that is held endo to the {B-8} unit. Isomer 2 is readily deprotonated and its monoanion 6 is characterised by NMR spectroscopy and by a single-crystal X-ray diffraction analysis of its [tmndH](+)[n-S2B16H15] salt 6b; deprotonation has occurred from an open-face B-H-B bridging site. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00467-4
• 作为产物：
  描述：

  [arachno-4-SB8H12] 以 环己烷 为溶剂， 以0.9%的产率得到1-thia-closo-dodecaborane(11)
  参考文献：
  名称：

  Macropolyhedral boron-containing cluster chemistry. Aspects of the S2B16H16 system. Preparation, structure, NMR spectroscopy and isomerism

  摘要：

  Thermolysis of [arachno-4-SB8H12] (1) in boiling cyclohexane gives two isomers 2 and 3 of 18-vertex [S2B16H16], together with known 12-vertex [closo-1-SB11H11] (4) and known 11-vertex [nido-7-SB10H12] (5). Compounds 2 and 3 are characterised by single-crystal X-ray diffraction analyses and single- and double-resonance B-11- and H-1-NMR spectroscopy. The [n-S2B16H16] isomer 2 takes the form of nido ten-vertex: nido ten-vertex [anti-B18H22] with the 9 and 9' positions occupied by S vertices, whereas the [iso-S2B16H16] isomer 3 takes the form of a nido 11-vertex {SB10} subcluster fused via a common two-boron edge to a nido-type {B-8} subcluster that is additionally linked exo to the {SB10} subcluster by a bridging S atom that is held endo to the {B-8} unit. Isomer 2 is readily deprotonated and its monoanion 6 is characterised by NMR spectroscopy and by a single-crystal X-ray diffraction analysis of its [tmndH](+)[n-S2B16H15] salt 6b; deprotonation has occurred from an open-face B-H-B bridging site. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00467-4