Pt(NH3)4(hydrogencarbonate)2 | 123439-82-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: Pt(NH3)4(hydrogencarbonate)2
• 英文别名: Azane;carbonic acid;platinum(2+);carbonate；azane;carbonic acid;platinum(2+);carbonate
• CAS: 123439-82-7
• 化学式: C₂H₁₄N₄O₆Pt
• 分子量: 385.236
• InChiKey: IXGOCCWMKLVVSM-UHFFFAOYSA-L

物化性质

• 熔点：
  236 °C (dec.)(lit.)
• 密度：
  2.7^4
• LogP：
  -2.3

计算性质

• 辛醇/水分配系数(LogP)：
  -1.58
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  125
• 氢给体数：
  6
• 氢受体数：
  10

安全信息

• TSCA：
  Yes
• 危险品标志：
  O,Xi
• 危险类别码：
  R8,R36/37/38
• 危险品运输编号：
  UN 1479
• WGK Germany：
  3
• 安全说明：
  S17,S26,S36

反应信息

• 作为反应物：
  描述：

  Pt(NH3)4(hydrogencarbonate)2 、 氧化亚氮 、 硝酸 以 水 为溶剂， 生成 (trans-[Pt(NH3)4(nitrate)(nitrosyl)])(NO3)2
  参考文献：
  名称：

  Photogeneration of Nitrosyl Linkage Isomers in Octahedrally Coordinated Platinum Complexes in the Red Spectral Range

  摘要：

  Octahedrally coordinated platinum nitrosyl complexes [Pt(NH3)(4)(NO3)(NO)](NO3)(2) (1) and [Pt(NH3)(4)(SO4)-(NO)](HSO4)(CH3CN) (2) undergo linkage isomerization at temperatures below 130 K when excited with red light. Irradiation in the spectral range of 570-800 nm results in an inversion of the NO ligand from a Pt-NO to a Pt-ON configuration. The metastable state Pt-ON can be reverted back to the ground state (GS) Pt-NO by irradiation with blue-green or infrared light or by heating above 130 K. The characteristic shift of the nu(NO) stretching vibration from 1744 to 1815 cm(-1) in 1 and from 1714 to 1814 cm(-1) in 2 allowed the unambiguous identification of the respective nitrosyl isomers. Up to 26% of the complexes of 1 and 20% of 2 may be photochemically excited toward the metastable state (MS). Using X-ray crystallography and DFT calculations, it is shown that the Pt-NO in these {MNO}(8) complexes exhibits a bent arrangement with a Pt-N-O angle in the range of 117-120 degrees. As a consequence and in contrast to the known {MNO}(6) complexes only one metastable linkage isomer Pt-ON with a correspondingly bent Pt-O-N arrangement is formed, as evidenced by spectroscopy and DFT calculations. The calculated partial density of states shows that the charge transfer transition Pt(5d) -> pi*(NO) is responsible for the formation of the metastable state.

  DOI：

  10.1021/ic901392q

文献信息

• Photogeneration of Nitrosyl Linkage Isomers in Octahedrally Coordinated Platinum Complexes in the Red Spectral Range
  作者：Dominik Schaniel、Theo Woike、Norwid-R. Behrnd、Jürg Hauser、Karl W. Krämer、Teodora Todorova、Bernard Delley

  DOI：10.1021/ic901392q

  日期：2009.12.7

  Octahedrally coordinated platinum nitrosyl complexes [Pt(NH3)(4)(NO3)(NO)](NO3)(2) (1) and [Pt(NH3)(4)(SO4)-(NO)](HSO4)(CH3CN) (2) undergo linkage isomerization at temperatures below 130 K when excited with red light. Irradiation in the spectral range of 570-800 nm results in an inversion of the NO ligand from a Pt-NO to a Pt-ON configuration. The metastable state Pt-ON can be reverted back to the ground state (GS) Pt-NO by irradiation with blue-green or infrared light or by heating above 130 K. The characteristic shift of the nu(NO) stretching vibration from 1744 to 1815 cm(-1) in 1 and from 1714 to 1814 cm(-1) in 2 allowed the unambiguous identification of the respective nitrosyl isomers. Up to 26% of the complexes of 1 and 20% of 2 may be photochemically excited toward the metastable state (MS). Using X-ray crystallography and DFT calculations, it is shown that the Pt-NO in these MNO}(8) complexes exhibits a bent arrangement with a Pt-N-O angle in the range of 117-120 degrees. As a consequence and in contrast to the known MNO}(6) complexes only one metastable linkage isomer Pt-ON with a correspondingly bent Pt-O-N arrangement is formed, as evidenced by spectroscopy and DFT calculations. The calculated partial density of states shows that the charge transfer transition Pt(5d) -> pi*(NO) is responsible for the formation of the metastable state.