Pt(2-oximino-2-cyano-N-piperidineacetamide)₂ | 727987-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Pt(2-oximino-2-cyano-N-piperidineacetamide)₂
• 英文别名: Pt(2-cyano-2-isonitroso-N-piperidinylacetamide)2
• CAS: 727987-36-2
• 化学式: C₁₆H₂₀N₆O₄Pt
• 分子量: 555.453
• InChiKey: ACUGNUQOUKITRV-QARJDJJSSA-L

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：

  在 potassium carbonate 作用下， 以 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 生成 Pt(2-oximino-2-cyano-N-piperidineacetamide)₂
  参考文献：
  名称：

  短波红外发光铂纳米线：溶液和固态发射的机理研究

  摘要：

  已获得并表征了几种含有两个氰基肟阴离子的“PtL2”复合物 - 2-肟基-2-氰基-N-哌啶乙酰胺（PiPCO-）和2-肟基-2-氰基-N-吗啉基乙酰胺（MCO-）无论是在溶液中还是在固态中。配合物以两种不同的多晶型存在：单体黄色配合物和深绿色[PtL2]n 1D 聚合物，而对于MCO-阴离子，还分离出含有二聚[Pt(MCO)2xDMSO]2 配合物的红色溶剂。研究了多晶型物的相互转化。单体 PtL2 单元借助 Pt---Pt 亲金属相互作用排列成各向异性扩展固体 [PtL2]n 聚合物。测定了单体 PtL2 (L= PiP-CO-, MCO-) 和红色二聚体 [Pt(MCO)2xDMSO]2 配合物的晶体结构，并揭示了氰肟阴离子的顺式排列。发现“头尾”红色二聚体中的 Pt-Pt 距离为 3.133 Å。使用 EXAFS 方法阐明了聚合 [Pt(PiPCO)2]n 化合物的结构，并证明了具有约

  DOI：

  10.1039/c7dt02317k

文献信息

• Part 1: Experimental and theoretical studies of 2-cyano-2-isonitroso-N-piperidynylacetamide (HPiPCO), 2-cyano-2-isonitroso-N-morpholylacetamide (HMCO) and their Pt- and Pd-complexes
  作者：Jessica Ratcliff、Janina Kuduk-Jaworska、Henryk Chojnacki、Victor Nemykin、Nikolay Gerasimchuk

  DOI：10.1016/j.ica.2011.12.005

  日期：2012.4

  The reaction between substituted cyan-acetamides NC-CH2-C(O) X (X = N-piperidyne or N-morpholyl residues) and gaseous methylnitrite CH3ONO in isopropanol at room temperature in the presence of a base within minutes leads to colorless cyanoximes 2-cyano-2-isonitroso-N-piperidynylacetamide (further as HPiPCO), and 2-cyano-2-isonitroso-N-morpholylacetamide (HMCO) in 70-90% yield. The deprotonation of HPiPCO and HMCO with a base such as NaOEt affords anionic Na-salts, bright-yellow in color originated from n -> pi* transitions in the nitroso-chromophore. Anionic cyanoximates react with aqueous solutions of K2MCl4 (M = Pd, Pt) to form yellow-orange PdL2 and dark blue-green polymeric [PtL2](n) (L = PiPCO, MCO), which upon treatment with DMSO or DMF breaks down to pale-yellow monomeric PtL2. Synthesized metal complexes were characterized by spectroscopic methods (IR, UV-Vis), measurement of the electric conductivity and the X-ray analysis. Both PdL2 and PtL2 exhibit non-electrolyte behavior in DMSO and DMF. Crystal structures of Pd(PiPCO)(2) and Pt(PiPCO)(2) were determined and revealed the formation of the cis-complexes with nearly planar geometry around the metal core and an adoption of the cis-anti configuration by anions, in contrast to the trans-anti geometry in structures of uncomplexed HPiPCO and HMCO. Ab initio calculations were performed for all six compounds: two cyanoxime ligands and four Pd and Pt metal complexes. A very satisfactory agreement between the calculated and experimental values of geometrical parameters of all evaluated compounds was attained. The electron densities, energies of HOMO and LUMO orbitals and molecular electrostatic potentials were calculated as well. (C) 2011 Elsevier B. V. All rights reserved.