[W(CO)2(CPh)(1,4,7-trimethyl-1,4,7-triazacyclononane)]BPh4 | 206865-92-1

• 英文名称: [W(CO)2(CPh)(1,4,7-trimethyl-1,4,7-triazacyclononane)]BPh4
• CAS: 206865-92-1
• 化学式: C₁₈H₂₆N₃O₂W*C₂₄H₂₀B
• 分子量: 819.507
• InChiKey: VLYMELKJBLKEGR-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：

  benzylidyne(chloro)tungsten;carbon monoxide;pyridine 、 四苯硼钠 、 1,4,7-三氮杂环壬烷 以 四氢呋喃 、 水 为溶剂， 以85%的产率得到[W(CO)2(CPh)(1,4,7-trimethyl-1,4,7-triazacyclononane)]BPh4
  参考文献：
  名称：

  Carbyne complexes of the group 6 metals containing 1,4,7-triazacyclononane and its 1,4,7-trimethyl derivative

  摘要：

  Interaction of Cl(CO)(2)py(2)M=CPh (M=Mo, W) with 1,4,7-trimethyl-1,4,7-triazacyclononane (Me(3)TACN) in THF, followed by metathesis using NaBPh4 in aqueous medium, readily afford [(Me(3)TACN)M(CO)(2)(=CPh)]BPh4 (M=Mo (1a), W (2)). [(TACN)Mo(CO)(2)(=CPh)]BPh4 (1b) is similarly prepared using the molybdenum precursor and 1,4,7-triazacyclononane (TACN). Complex 1a, 1b and 2 are stable in the presence of concentrated hydrochloric acid at room temperature. The crystal structures of la and 2 both show that the three nitrogen atoms of Me(3)TACN are not equidistant from the metal centre as a consequence of the different trans influences of the carbyne and carbonyl groups. Complexes 1a, 1b and 2 exhibit intense absorption bands at 320-340 nm and weak absorptions in the 400-500 nm region, while excitation of 2 at 330 nm in acetonitrile gives an emission at 630 nm with a lifetime of 83 ns (Phi(em) = 1.6 X 10(-4)) at room temperature. The cyclic voltammograms of 1a and 2 in acetonitrile consist of a quasi-reversible couple (-2.15 V vs. Cp2Fe0/+) acid an irreversible wave (+0.77 V vs. Cp2Fe0/+). Both couples are assigned to ligand-centred processes. Reaction of Me(3)TACN with Cl(CO)(2)py(2)Cr=CPh in THF resulted in cleavage of the carbyne moiety to yield a binuclear product. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0022-328x(97)00578-0