dimethylgold(III) benzoate | 1095578-84-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethylgold(III) benzoate
• 英文别名: bis(dimethylgold(III) benzoate)
• CAS: 1095578-84-9
• 化学式: C₁₈H₂₂Au₂O₄
• 分子量: 696.303
• InChiKey: YWUJLNFDSOGLFV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  dimethylgold(III) iodide 、 silver benzoate 以 not given 为溶剂， 生成 dimethylgold(III) benzoate
  参考文献：
  名称：

  Thermal behaviour of dimethylgold(III) carboxylates

  摘要：

  热重分析法研究了通式为 [(CH3)2Au(OOCR)]2（R=甲基（1）、叔丁基（2）、三氟甲基（3）或苯基（4））的二甲基金（III）羧酸盐在固态下的热特性。通过克努森流出法和质谱指示，研究了络合物饱和蒸汽压的温度依赖性。计算了升华过程的热力学参数 Δsub H T 0 和 Δsub S T 0。通过真空高温质谱法研究了络合物 1 和 2 蒸汽的热分解，并确定了分解的副产物。

  DOI：

  10.1007/s10973-007-9172-7

文献信息

• Synthesis and crystal structure of dimethylgold(III) carboxylates
  作者：A. A. Bessonov、N. B. Morozova、N. V. Kurat’eva、I. A. Baidina、N. V. Gel’fond、I. K. Igumenov

  DOI：10.1134/s1070328408010119

  日期：2008.1

  Three novel carboxylate complexes were synthesized: dimethylgold(III) trifluoroacetate [Me2Au(Tfa)]2 (I), trimethylacetate (pivalate) [Me2Au(Piv)]2 (II), and benzoate [Me2Au(OBz)]2 (III). The starting reagent was [Me2AuI]2. The procedure of its synthesis provides 60% product yield. Dimethylgold(III) carboxylates were identified from the IR and 1H NMR data. The title compounds were studied by X-ray diffraction. The unit cell parameters for I, C8H12Au2F6O4: a = 15.5522(13), b = 12.9398(11), c = 15.6555(14) Å, β = 104.308(2)°, Z = 8, ρ(calcd.) = 2.959 g/cm3, space group C2/c, R = 0.0779; for II, C14H30Au2O4: a = 10.3025(3), b = 15.5952(4), c = 12.6819(3) Å, β = 105.8270(10)°, Z = 4, ρ(calcd.) = 2.224 g/cm3, space group P21/c, R = 0.0229; for III, C18H22Au2O4: a = 12.8050(2), b = 19.7886(3), c = 7.60300(10) Å, Z = 4, ρ(calcd.) = 2.401 g/cm3, space group Pnma, R = 0.0144. Compounds I–III have the molecular structures; the structural units are the [(CH3)2Au(OOCR)]2 dimers (Au…Au 2.984–3.080 Å), R = CF3, tert-Bu, Ph. The gold atoms have the square coordination with two carbon atoms and two oxygen atoms (Au-O 2.120–2.173 Å). The molecules in compounds I–III are united into infinite unidimensional chains connected by van der Waals interactions.

  合成了三种新型羧酸配合物：三氟乙酸二甲基金（III）[Me2Au(Tfa)]2 (I)、三甲基乙酸酯（特戊酸酯）[Me2Au(Piv)]2 (II)和苯甲酸酯[Me2Au(OBz)]2 (III)。起始试剂为 [Me2AuI]2。其合成过程的产品收率为 60%。从红外和 1H NMR 数据中鉴定出了二甲基金（III）羧酸盐。对标题化合物进行了 X 射线衍射研究。I 的单胞参数为 C8H12Au2F6O4：a = 15.5522(13)，b = 12.9398(11)，c = 15.6555(14)埃，β = 104.308(2)°, Z = 8, ρ(calcd.) = 2.959 g/cm3, 空间群 C2/c, R = 0.0779; 对于 II, C14H30Au2O4: a = 10.3025(3), b = 15.5952(4), c = 12.6819(3) Å, β = 105.8270(10)°, Z = 4, ρ(calcd.) = 2.224 g/cm3, 空间群 P21/c, R = 0.0229; 对于 III, C18H22Au2O4: a = 12.8050(2), b = 19.7886(3), c = 7.60300(10) Å, Z = 4, ρ(calcd.) = 2.401 g/cm3, 空间群 Pnma, R = 0.0144。化合物 I-III 具有分子结构；结构单元为[(CH3)2Au(OOCR)]2 二聚体（Au...Au 2.984-3.080 Å），R = CF3、tert-Bu、Ph。金原子与两个碳原子和两个氧原子呈方形配位（Au-O 2.120-2.173 Å）。化合物 I-III 中的分子通过范德华相互作用结合成无限的单维链。