quinolinium tetrachlorothallate(III) | 88922-03-6

• 英文名称: quinolinium tetrachlorothallate(III)
• CAS: 88922-03-6
• 化学式: C₉H₈N*Cl₄Tl
• 分子量: 476.364
• InChiKey: VFLTZBDSTQHOAV-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：

  喹啉 、 盐酸 、 thallium (III) oxide 以 盐酸 为溶剂， 生成 quinolinium tetrachlorothallate(III)
  参考文献：
  名称：

  Crystal structure and investigation of phase transitions in hexa (2 amino-indolinium) dodécachlorobithallate(III) and quinolinium tetrachlorothallate(III)

  摘要：

  Two new thallium containing salts with different aryl ammonium cations have been prepared and characterized by X-ray crystallography, infrared spectroscopy and dielectric measurements.The salt [C8N2H8](6)Tl2Cl12 (1) crystallizes in the monoclinic system with space group Pn. The unit cell dimensions are: a = 15.120(5), b = 11.825(5), c = 17.167(5) angstrom, beta = 104.460(5)degrees with Z = 2, D-calcd = 1.818 g cm(-3), R = 0.0369. The structure consists of 2 amino-indo-linium cations and monomeric TICl63- anions. The TICl63- has a strongly octahedral geometry presenting five short and one long (T11-C113 = 2.739(5) and T12-C126 = 2.684(5) angstrom) Tl-Cl bonds. The presence of multiple hydrogen bonds is considered to be responsible for the octahedral distortion.However, the second compound [C9H8N]TlCl4 (2) crystallizes in the Pna2(1) orthorhombic space group, with a = 9.253(1), b = 9.799(1), c = 14.558(2) angstrom, Z = 4, D-calcd = 2.397 g cm(-3), R = 0.0608. The structure of the quinolinium tetrachlorothallate(III) is characterized by tetracoordinate thallium, forming a regular tetrahedral TlCl4 with Tl-Cl distances between 2.366(2) and 2.451(3) angstrom. The structure consists of quinolinium cations separating chains of TlCl4- tetrahedra, these chains being perpendicular to the c axis.Infrared spectra confirm the presence of the organic cations. Differential scanning calorimetry study was carried out. Electrical measurements were performed to discuss the mechanism of the phase transition. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.01.051