[Pt(dimethyl sulfoxide)(ethyl 2,6-diphenylisonicotinate(-2H))] | 1352575-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Pt(dimethyl sulfoxide)(ethyl 2,6-diphenylisonicotinate(-2H))]
• 英文别名: [(ethyl 2,6-diphenylisonicotinate(2-))Pt(dmso)]
• CAS: 1352575-58-6
• 化学式: C₂H₆OS*C₂₀H₁₅NO₂*Pt
• 分子量: 574.56
• InChiKey: RYFYQGBDIYVAJK-UHFFFAOYSA-N

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(ethyl 2,6-diphenylisonicotinate(2-))Pt(2,5-dimethylpyrazine)] 、 [Pt(dimethyl sulfoxide)(ethyl 2,6-diphenylisonicotinate(-2H))] 以 二氯甲烷 为溶剂， 生成 [((ethyl 2,6-diphenylisonicotinate(2-))Pt)2(μ-2,5-dimethylpyrazine)]
  参考文献：
  名称：

  Heteropolynuclear Pt(II)–M(I) Clusters with a C^∧N^∧C Biscyclometalated Ligand

  摘要：

  The mononuclear complex [(EtO2C-C boolean AND N boolean AND C)Pt(dmpyz)] (1) (dmpyz = 2,5-dimethylpyrazine) has been synthesized by reaction of [(EtO2C-C boolean AND N boolean AND C)Pt(dmso)] (A) with dmpyz in a 1:1 molar ratio in dichloromethane. Complex 1 is the precursor for preparing the homodinuclear complex [{(EtO2C-C boolean AND N boolean AND C)Pt}(2)(mu-dmpyz)] (2) and the heterotrinuclear clusters [{(EtO2C-C boolean AND N boolean AND C)Pt(dmpyz)}(2)M]X (M = Cu, X = PF6 (3); M = Ag, X = BF4 (4)). Compounds 1, 2, and 4 were studied by X-ray diffraction methods. In the crystal packing of 1 and 2, the molecules display short intermolecular pi center dot center dot center dot pi contacts, which control the solid-state emissive behavior. X-ray study on 4 shows two [Pt2Ag] sandwich-type clusters in the asymmetric unit, both with the two square-planar "(R-CNC)Pt(dmpyz)" moieties stabilized by two Pt -> Ag donor-acceptor bonds as well as by eta(1)- and eta(2)-Ag-C interactions. Intramolecular pi-pi contacts were found between the pyridine rings of the CNC ligands within the same Pt2Ag cluster. H-1 and Pt-195 NMR studies confirm that the Pt2M cluster is also retained in solution at room temperature. Pt-195 NMR spectra of 3 and 4 show signals shifted significantly downfield when comparing with that for the monomer (1), which is attributed to the presence of Pt M dative bonds. At lower temperatures (T = 193 K), the copper derivative definitely falls apart, whereas the silver one still holds up unbroken. In the solid state at 77 K, compounds 1-4 give red emissions arising from (3)pi pi excited states due to the intra- or intermolecular pi-pi contacts observed in the crystal structures. As expected, in glassy solutions (77 K), compound 3 displays analogous emissions to those from the starting material (1). Complexes 1 and 2 show structured emission bands that are particularly sensitive to the lambda(ex) (HE and LE). In contrast, 4 displays an unstructured emission at 680 nm with a shoulder at 556 nm; both are not dependent on the lambda(ex) DFT and TDDFT computational studies have been performed on 1 and 2, which support the conclusions drawn from the photophysical studies.

  DOI：

  10.1021/om300170j

文献信息

• New C^∧N^∧C Bis-Cyclometalated Platinum(II) Complexes: Synthesis, Structures, and Photophysical Properties
  作者：Sara Fuertes、Simon K. Brayshaw、Paul R. Raithby、Stephanie Schiffers、Mark R. Warren

  DOI：10.1021/om200589q

  日期：2012.1.9

  structures of 2–10 have been determined crystallographically. Within each crystal structure the individual molecules pack in a head-to-tail arrangement. Noncovalent interactions, including π···π, C–H···O, C–H···N, N–H···Pt, N–H···π, C–H···π, and N–H···O, contribute significantly to the supramolecular structures displayed by these complexes in the solid state. All complexes display UV–vis absorptions in

  一个新的配位体的反应，乙基2,6- diphenylisonicotinate（ETO 2 C-C ∧ Ñ ∧ C-H 2），其中K 2氯铂酸4在乙酸，得到monocyclometalated络合物[（ETO 2 C-C ∧ Ñ ∧ C-H）的PT（μ-Cl）的} 2 ]（1），其变换为双-环金属化衍生物[PT（ETO 2 C-C ∧ ñ ∧ C）（DMSO）]（2）当在热加热DMSO。配合物2是制备一系列新的中性单核双环金属化配合物[PT（EtO 2 C–C∧ Ñ ∧ C）（L）]（L = THT（3），PPH 3（4），CN-吨BU（5），吡啶（6），py-吨卜（7），PY-NH 2（8），py-CN（9），py-CONH 2（10））。这些新的配合物已通过光谱表征，结构为2 – 10已经通过晶体学确定。在每个晶体结构中，单个分子以头到尾的方式堆积。非共价相互作用，包括π··π，CH