tetramethylammonium trichlorozincate | 1039359-43-7

• 英文名称: tetramethylammonium trichlorozincate
• CAS: 1039359-43-7
• 化学式: C₄H₁₂N*Cl₃Zn
• 分子量: 245.895
• InChiKey: ASSNKKGBZOUPDG-UHFFFAOYSA-K

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：

  盐酸 、 四甲基氯化铵 、 zinc(II) oxide 以 水 为溶剂， 以78%的产率得到tetramethylammonium trichlorozincate
  参考文献：
  名称：

  New Noncentrosymmetric Material - [N(CH₃)₄]ZnCl₃: Polar Chains of Aligned ZnCl₄ Tetrahedra

  摘要：

  A new organically templated noncentrosymmetric polar zinc chloride, [N(CH3)(4)]ZnCl3, has been synthesized hydrothermally, and the structure was determined by single crystal X-ray diffraction. The reported material exhibits a unidimensional crystal structure consisting of chains of anionic ZnCl4 tetrahedra that are separated by [N(CH3)(4)](+) cations. Second-harmonic generation (SHG) measurement on the noncentrosymmetric [N(CH3)(4)]ZnCl3, using 1064 nm radiation, indicate the material has a SHG efficiency of approximately 15 x alpha-SiO2. Additional SHG measurements indicate the material is nonphase-matchable (type 1). In addition, converse piezoelectric measurements revealed d(33) values of 10 pm/V. Thermogravimetric analysis, UV-vis diffuse reflectance, and infrared spectroscopy were also performed, as were electronic structure calculations.. Crystal data: [N(CH3)(4)]ZnCl3, orthorhombic, space group Pmc2(1) (No. 26), with a = 7.2350(14) angstrom, b = 8.8210(18) angstrom, c = 15.303(3) angstrom, V = 976.6(3) angstrom(3), and Z = 4.

  DOI：

  10.1021/ic901064q