[(OC)5W...CH2Cl2] | 164925-61-5

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [(OC)5W...CH2Cl2]
• 英文别名: carbon monoxide;dichloromethane;tungsten
• CAS: 164925-61-5
• 化学式: C₆H₂Cl₂O₅W
• 分子量: 408.835
• InChiKey: GDZDIIYNYJHOHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.23
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  丙炔酸甲酯 、 [(OC)5W...CH2Cl2] 以 二氯甲烷 为溶剂， 生成 pentacarbonyl(eta.2-methylcarboxyacetylene)tungsten
  参考文献：
  名称：

  摘要：

  The photolysis of W(CO)(6) in CH2Cl2 produces (CO)(5)WCH2Cl2. The high reactivity of (CO)(5)WCH2Cl2 (1) was exploited to synthesize a vinylidene complexes via the acetylene-vinylidene rearrangement. The addition of a terminal acetylene (H-C=C-COOCH3) to a solution of (1) produced the eta (2)-acetylene-pentacarbonyltungsten complex (CO)(5)W(eta (2)-HC=C-COOCH3) in good yield. The production of the vinylidene complex (CO)(5)W=C=CH-COOCH3 in equilibrium with the acetylene complex in the reaction medium was verified experimentally by reaction with excess imine. The heterocyclic organometallic compound of tungsten obtained was separated and purified and its structure was studied by IR, H-1 NMR, C-13 NMR and mass spectrometry in comparison with the thermal analysis and elemental analysis data. The final aim of this investigation is the development of a new alternative route to a beta -lactame with antibacterial activity.

  DOI：

  10.1023/a:1010102809977
• 作为产物：
  描述：

  (CO)5W(4,4'-bipyridine) 在 二氯甲烷 作用下， 以 二氯甲烷 为溶剂， 生成 [(OC)5W...CH2Cl2]
  参考文献：
  名称：

  Excited-state properties of [(OC)₅W(L)W(CO)₅][L = 4,4′-bipyridyl (4,4′-bipy) or pyrazine] and [(OC)₅W(4,4′-bipy)]

  摘要：

  Fast time-resolved infrared (TRIR) spectroscopy has been employed to probe the electron distribution in the lowest metal-to-ligand charge-transfer excited states of [(OC)(5)W(4,4'-bipy)W(CO)(5)] 1, [(OC)(5)W(4,4'-bipy)] 2 (4,4'-bipy = 4,4'-bipyridyl) and [(OC)(5)W(pyz)W(CO)(5)] 3 (pyz = pyrazine). The excited State of 1 (i.e. 1*) shows a nu(CO) band pattern, compared with the ground state, in which some nu(CO) bands increase and some decrease in frequency; those which increase match very closely those observed for the excited state of 2, where the increase in frequency is readily assigned to the increase in the effective oxidation state of W on electron transfer to the 4,4'-bipy ligand (schematically W(+)L(-)). The nu(CO) IR bands of the electrochemically reduced 1, i.e. 1(-), are lower in frequency than those of 1, and nearly match the low-frequency bands of 1*. The interpretation is that the excited state of 1 is localised (schematically approximate to W+C-W) on the IR time-scale, and that the degree of-coupling between the: two halves of the excited molecule is very small. Similar conclusions are obtained for the excited state of 3, based on TRIR and spectroelectrochemistry of this complex.

  DOI：

  10.1039/dt9950002711

文献信息

• Excited-state properties of [(OC)₅W(L)W(CO)₅][L = 4,4′-bipyridyl (4,4′-bipy) or pyrazine] and [(OC)₅W(4,4′-bipy)]
  作者：Michael W. George、Frank P. A. Johnson、James J. Turner、Jeremy R. Westwell

  DOI：10.1039/dt9950002711

  日期：——

  Fast time-resolved infrared (TRIR) spectroscopy has been employed to probe the electron distribution in the lowest metal-to-ligand charge-transfer excited states of [(OC)(5)W(4,4'-bipy)W(CO)(5)] 1, [(OC)(5)W(4,4'-bipy)] 2 (4,4'-bipy = 4,4'-bipyridyl) and [(OC)(5)W(pyz)W(CO)(5)] 3 (pyz = pyrazine). The excited State of 1 (i.e. 1*) shows a nu(CO) band pattern, compared with the ground state, in which some nu(CO) bands increase and some decrease in frequency; those which increase match very closely those observed for the excited state of 2, where the increase in frequency is readily assigned to the increase in the effective oxidation state of W on electron transfer to the 4,4'-bipy ligand (schematically W(+)L(-)). The nu(CO) IR bands of the electrochemically reduced 1, i.e. 1(-), are lower in frequency than those of 1, and nearly match the low-frequency bands of 1*. The interpretation is that the excited state of 1 is localised (schematically approximate to W+C-W) on the IR time-scale, and that the degree of-coupling between the: two halves of the excited molecule is very small. Similar conclusions are obtained for the excited state of 3, based on TRIR and spectroelectrochemistry of this complex.
• ——
  作者：M. A. Zayed、H. Fischer

  DOI：10.1023/a:1010102809977

  日期：——

  The photolysis of W(CO)(6) in CH2Cl2 produces (CO)(5)WCH2Cl2. The high reactivity of (CO)(5)WCH2Cl2 (1) was exploited to synthesize a vinylidene complexes via the acetylene-vinylidene rearrangement. The addition of a terminal acetylene (H-C=C-COOCH3) to a solution of (1) produced the eta (2)-acetylene-pentacarbonyltungsten complex (CO)(5)W(eta (2)-HC=C-COOCH3) in good yield. The production of the vinylidene complex (CO)(5)W=C=CH-COOCH3 in equilibrium with the acetylene complex in the reaction medium was verified experimentally by reaction with excess imine. The heterocyclic organometallic compound of tungsten obtained was separated and purified and its structure was studied by IR, H-1 NMR, C-13 NMR and mass spectrometry in comparison with the thermal analysis and elemental analysis data. The final aim of this investigation is the development of a new alternative route to a beta -lactame with antibacterial activity.