[InS(2,2'-bipyridine)Cl]4*H2O | 1334714-81-6

• 英文名称: [InS(2,2'-bipyridine)Cl]4*H2O
• 英文别名: [InS(bpy)Cl]4*H2O
• CAS: 1334714-81-6
• 化学式: C₄₀H₃₂Cl₄In₄N₈S₄*H₂O
• 分子量: 1372.12
• InChiKey: DVUWPHBGBNJYQI-UHFFFAOYSA-J

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：

  水 、 indium(III)trichloride tetrahydrate 、 2,2'-联吡啶 、 sulfur 以 水 、 乙二醇 为溶剂， 以82%的产率得到[InS(2,2'-bipyridine)Cl]4*H2O
  参考文献：
  名称：

  Cubic clusters of indium chalcogenides with 2,2-bipyridine ligand, a comprehensive view of [InQ(phen/bpy)Cl]4 (Q=S, Se) compounds

  摘要：

  We have reported main group metal chalcogenido clusters of cubic [InQ(phen)Cl](4) (Q = S (1) and Se (2); phen = 1,10-phenanthroline). Herein two new cubic clusters with ligand of 2,2'-bipyridine (bpy) have been synthesized by solvothermal technique, [InSe(bpy)Cl](4) (3) and [InS(bpy)Cl](4)center dot H2O (4). The molecular structures and electronic states of compounds 3 and 4 are presented by comparing with those of 1 and 2. Though the clusters of 1-4 are similar, their packing structures show diverse modes. Spectroscopic study and theoretical calculation indicate that introducing phen/bpy to chalcogenido clusters can decrease the energy gap of frontier orbitals from HOMO to LUMO due to the cluster to ligand charge-transfer (CLCT). Increasing the conjugated system of the organic ligand or using the heavier chalcogenido element might improve the photophysical absorption of the materials. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.06.049