[Re2Cl3[μ-[(C6H5)2P]2CH2]2(CO)[(CH3CH2CH2)CCH[P(CH3)3]]](CF3SO3) | 163512-62-7

• 英文名称: [Re2Cl3[μ-[(C6H5)2P]2CH2]2(CO)[(CH3CH2CH2)CCH[P(CH3)3]]](CF3SO3)
• CAS: 163512-62-7
• 化学式: CF₃O₃S*C₅₉H₆₁Cl₃OP₅Re₂
• 分子量: 1568.84
• InChiKey: NTRICZQOQVXJKJ-UHFFFAOYSA-J

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：

  Re2(μ-Cl)(μ-dppm)2Cl3(CO) 以 四氢呋喃 为溶剂， 生成 [Re2Cl3[μ-[(C6H5)2P]2CH2]2(CO)[(CH3CH2CH2)CCH[P(CH3)3]]](CF3SO3)
  参考文献：
  名称：

  Reactions of monodentate tertiary phosphines with the dirhenium(II) alkyne complexes [Re2Cl3(μ-dppm)2(CO)-(η2-RCCH)]X (X = PF6 or O3SCF3) to form ylides

  摘要：

  The eta(2)-alkyne adducts [Re2Cl3(mu-dppm)(2)(CO) (eta(2)-RCCH)]X (R=H, Pr-n, Bu(n) or Ph; X=PF6 or O3CF3) have been reacted with monodentate tertiary phosphines PR(3) (R(3)=Me(3), Et(3), Me(2)Ph or MePh(2)) to afford in high yield (> 60%) a new class of resonance stabilized ylides of composition [Re2Cl3(mu-dppm)(2)(CO)(C(R)CH(PR(3)))]X. These diamagnetic complexes have been characterized by IR, H-1 NMR and P-31(H-1) NMR spectroscopies and cyclic voltammetry, and the structure of a representative example determined by single crystal X-ray crystallography. Crystal data for [Re2Cl3(mu-dppm)(2)(CO)(C(Pr-n)CH(PMe(2)Ph))] SO3CF3 . 0.83C(7)H(8), at 173 K: monoclinic space group Pn (No. 7), a=16.404(4), b=11.907(2), c=19.866(2) Angstrom, beta=110.58(1)degrees V=3632(2) Angstrom(3), Z=2. The structure was refined in full-matrix least-squares to R=0.052 (R(w)=0.068) for 4156 data with I>3 sigma(1). This structure determination shows that the basic geometry present in the parent complexes [Re2Cl3(mu-dppm)(2)(CO)(eta(2)RCCH)]X is retained, the principal difference being the conversion of the eta(2)-alkyne ligand RCCH to the eta(1)-bound ylide C(R)CH(PR(3)). The Re-Re bond length of 2.311(1) Angstrom signifies the retention of an Re=Re bond.

  DOI：

  10.1016/0020-1693(94)04234-m