(decamethylpentasilacycloheptyne)Mo2(CO)4(η(5)-C5H5)2 | 211796-54-2

• 英文名称: (decamethylpentasilacycloheptyne)Mo2(CO)4(η(5)-C5H5)2
• CAS: 211796-54-2
• 化学式: C₂₆H₄₀Mo₂O₄Si₅
• 分子量: 748.909
• InChiKey: JKJBFIIYFXKTMH-UHFFFAOYSA-N

计算性质

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

• 作为产物：
  描述：

  cyclopentadienylmolybdenum tricarbonyl dimer 、 3,3,4,4,5,5,6,6,7,7-decamethyl-3,4,5,6,7-pentasilacycloheptyne 以 四氢呋喃 、 二乙二醇二甲醚 为溶剂， 以60%的产率得到(decamethylpentasilacycloheptyne)Mo2(CO)4(η(5)-C5H5)2
  参考文献：
  名称：

  Decamethylpentasilacycloheptyne·Mo2(CO)4(η5-C5H5)2 and cycloheptyne·Mo2(CO)4(η5-C5H5)2

  摘要：

  A dimolybdenum derivative of decamethylpentasilacycloheptyne (1) was synthesized by direct reaction of the heptyne with Mo-2(CO)(4)(eta(5)-C5H5)(2). 1 crystallized in the space group P (1) over bar, a = 9.386(2), b = 9.866(3), c = 20.178(4) Angstrom, alpha = 92.17(2), beta = 97.17(2), gamma = 115.71(2)degrees. The acetylenic bond is lengthened from 1.213 Angstrom in the free ligand to 1.359(4) Angstrom and all the Si-Si bond lengths in 1 are significantly lengthened upon complexation. This is due to relaxation of the ring strain as evidenced by the Si-C-C bond angles in 1 of 132.7 and 140.9 degrees compared to 159.2 and 162.6 degrees in the uncomplexed ring. Si-29-NMR data exhibit significant downfield chemical shifts upon complexation for the Si atoms adjacent to the triple bond, with moderate upheld shifts for the other Si atoms. The related cycloheptyne.Mo-2(CO)(4)(eta(5)-C5H5)(2) (2) was synthesized by the reaction of cyclohepteno-1,2,3-selenadiazole with Mo-2(CO)(4)(eta(5)-C5H5)(2). 2 crystallized in the space group C2(1)/c, a = 30.396(10), b = 8.9093(3), c = 16.156(4) Angstrom, beta = 115.39(2)degrees. The acetylenic bond in 2 is 1.345 Angstrom compared with a calculated value (ab initio 3-21 G*) of 1.190 Angstrom for the free cycloheptyne. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00367-2