dichloro(5,10,15,20-tetraphenylporphyrinato) zirconium(IV) | 77370-96-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: dichloro(5,10,15,20-tetraphenylporphyrinato) zirconium(IV)
• 英文别名: dichloro(5,10,15,20-tetraphenylporphinato)zirconium(IV)；dichloro(meso-tetraphenylporphyrinato)zirconium(IV)；Zr(5,10,15,20-tetraphenylporphyrinato)Cl2；cis-[ZrCl2(tetraphenylporphyrinate)]；Zr(meso-tetraphenylporphyrinate)Cl2；Cl2Zr(TPP)
• CAS: 77370-96-8
• 化学式: C₄₄H₂₈Cl₂N₄Zr
• 分子量: 774.863
• InChiKey: LZQAFMWDPYYHRK-NBICUONBSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 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：

  dichloro(5,10,15,20-tetraphenylporphyrinato) zirconium(IV) 在 tetrahydrofurane 作用下， 以 正庚烷 、 二氯甲烷 为溶剂， 生成 dichloro(meso-tetraphenylporphyrinato)zirconium(IV)(THF)
  参考文献：
  名称：

  Kim, Hee-Joon; Whang, Dongmok; Kim, Kimoon, Inorganic Chemistry, 1993, vol. 32, # 3, p. 360 - 362

  摘要：

  DOI：
• 作为产物：
  描述：

  盐酸 、 bis(acetato-O,O')[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N(21),N(22),N(23),N(24)]zirconium 以 二氯甲烷 为溶剂， 以95%的产率得到dichloro(5,10,15,20-tetraphenylporphyrinato) zirconium(IV)
  参考文献：
  名称：

  Reaction of (POR)M(OAc)2 (M  Zr, Hf) with nBuLi and soild state structure of [(TPP)Zr(μ-OH)2]2

  摘要：

  A general route to (TPP)Zr(OAc)(2), (OEP)Zr(OAc)(2) and (TPP)Hf(OAc)(2) from the reaction of MCl(4) and H-2(POR) in benzonitrile, followed by treatment with pyridine + acetic acid is described. The reaction of(POR)M(OAc)(2) with (n)BuLi occurs in a stepwise manner, with approximately 2 equiv. of (n)BuLi required before the formation of M((n)Bu) is observed, and 4 equiv. required for stoichiometric conversion to (POR)M((n)Bu)(2). The tetrahydroxo-bridged dimer [(TPP)Zr(mu-OH)(2)](2) was obtained as the benzene solvate from the hydrolysis of (TPP)Zr((n)Bu)(2), and the structure was determined by single crystal X-ray diffraction (triclinic, ; a=10.606(2) Angstrom,b=13.003(3) Angstrom, c=14.587(3) Angstrom, alpha=99.85(3)degrees, beta=107.61(3)degrees, gamma=96.82(3)degrees, Z=2).

  DOI：

  10.1016/0022-328x(95)05835-d
• 作为试剂：
  描述：

  甲醇 、 2-羟基丙基苯基磷酸酯 在 dichloro(5,10,15,20-tetraphenylporphyrinato) zirconium(IV) 作用下， 以 甲醇 、 氘代苯 为溶剂， 生成 phosphoric acid 2-hydroxy-propyl ester methyl ester 、 propylene hydrogen phosphate 、 甲基苯基磷酸氢盐 、 1-Hydroxypropan-2-yl methyl hydrogen phosphate
  参考文献：
  名称：

  Stulz; Buergi; Leumann, Chemistry - A European Journal, 2000, vol. 6, # 3, p. 523 - 536

  摘要：

  DOI：

文献信息

• Phthalocyaninate und Tetraphenylporphyrinate von hochkoordiniertem ZrIV/HfIV mit Hydroxo-, Chloro-, (Di)Phenolato-, (Hydrogen)Carbonato- sowie (Amino)Carboxylato-LigandenProfessor Joachim Strähle zum 65. Geburtstag gewidmet
  作者：Andreas Tutaß、Melanie Klöpfer、Heiner Hückstädt、Ursula Cornelissen、Heiner Homborg

  DOI：10.1002/1521-3749(200206)628:5<1027::aid-zaac1027>3.0.co;2-k

  日期：2002.6

  ato)-phthalocyaninato(2-)zirconat(IV) (2) und -hafnat(IV) (1), Di(tetra(n-butyl)ammonium)-cis-di(tetrachlorcatecholato(O, O'))phthalocyaninato(2-)zirconat(IV) (3) sowie cis-(Di(μ-alaninato-(O, O')di(μ-hydroxo))di(phthalocyaninato(2-)zirconium(IV)) (12) sind aus Tetra(n-butyl)ammoniumhydroxid-Losungen von cis-Di(chloro)phthalocyaninato(2-)zirconium(IV) bzw.-hafnium(IV) und der jeweiligen Saure in polaren

  ))四苯基卟啉合(2-)锆(IV) (11)和顺-四(μ-羟基)二(四苯基卟啉合(2-)锆(IV)) (13) mit einer cis-Anordnung der paarweise symmetrieaquivalenten μ-Hydroxo- Liganden 和 aus Di(acetato)tetraphenylporphyrinato(2-)zirconium(IV) das entsprechende trans-Isomere (14) kristallin dargestellt worden。Durch endotherme Abspaltung von Wasser in 13/14 bei 215 °C bildet sich <μ-Oxodi(μ-hydroxo)di(tetraphenylporphyrinato(2-)zirconium(IV)) (15)
• Novel low-valent zirconium porphyrin complexes: syntheses, characterization and X-ray crystal structures of (η5-cyclopentadienyl)zirconium tetraphenylporphyrin and (η2-diphenylacetylene)zirconium octaethylporphyrin
  作者：Hee-Joon Kim、Sungkyung Jung、You-Moon Jeon、Kimoon Kim

  DOI：10.1039/a705181f

  日期：——

  Reactions of (por)ZrCl2 [por = octaethylporphyrinato (oep) or tetraphenylporphyrinato (tpp) dianion] with TlCp and diphenylacetylene in the presence of Na/Hg or Mg produce novel low-valent zirconium porphyrin complexes (por)Zr(η5-Cp) 1 and (por)Zr(η2-PhCCPh) 2, respectively; spectroscopic and/or structural data for 1 and 2 are consistent with a formalism in which 1 is a resonance hybrid of a zirconium(III) metal-centered radical and a zirconium(IV) porphyrin radical anion while 2 is a zirconium(II) complex stabilized by a four-electron-donor alkyne ligand.

  (por)ZrCl2 [por = 八乙基卟啉 (oep) 或四苯基卟啉 (tpp) 二价阴离子] 与 TlCP 和二苯乙炔在 Na/Hg 或 Mg 存在下反应，生成新型低价锆卟啉配合物 (por)Zr(η5-分别为 CP) 1 和 (por)Zr(δ2-PhCCPh) 2 ； 1和2的光谱和/或结构数据与形式一致，其中1是锆(III)金属中心自由基和锆(IV)卟啉自由基阴离子的共振杂化物，而2是锆(II)络合物由四电子供体炔配体稳定。
• Novel η1-alkynyl zirconium porphyrin complexes: synthesis and characterization of (por)Zr(η1-CCR)3Li(THF) [por = octaethylporphyrinato (oep) or tetraphenylporphyrinato dianion (tpp); R = Ph, SiMe3]
  作者：Hee-Joon Kim、Sungkyung Jung、You-Moon Jeon、Dongmok Whang、Kimoon Kim

  DOI：10.1039/a901923e

  日期：——

  Reaction of (por)ZrCl2 [por = 2,3,7,8,12,13,17,18-octaethylporphyrinato dianion (oep) or 5,10,15,20-tetraphenylporphyrinato dianion (tpp)] with 3 equiv. of LiCCR (R = Ph and SiMe3) produces novel alkynyl zirconium(IV) porphyrin complexes (por)Zr(η1-CCR)3Li(THF) in which three alkynyl ligands are coordinated to the zirconium center in a piano stool fashion and the Li+ ion is bound to the pocket formed by three alkynyl ligands; treatment of (por)Zr(η1-CCPh)3Li(THF) with anhydrous HCl produces a C–C bond coupled product H2CCPh(CCPh) and HCCPh quantitatively.

  (por)ZrCl2 [por = 2,3,7,8,12,13,17,18-octaethylporphyrinato dianion (oep) or 5,10,15,20-tetraphenylporphyrinato dianion (tpp)]与 3 equiv.LiCCR（R = Ph 和 SiMe3）产生新型炔基锆(IV)卟啉配合物 (por)Zr(δ-1-CCR)3Li(THF) ，其中三个炔基配体以钢琴凳的方式配位到锆中心，Li+ 离子与三个炔基配体形成的口袋结合；用无水 HCl 处理 (por)Zr(δ-1-CCPh)3Li(THF) 可定量生成 CâC 键偶联产物 H2CCPh(CCPh) 和 HCCPh。
• Preparation, X-ray Structures, Spectroscopic, and Redox Properties of Di- and Trinuclear Iron–Zirconium and Iron–Hafnium Porphyrinoclathrochelates
  作者：Semyon V. Dudkin、Nathan R. Erickson、Anna V. Vologzhanina、Valentin V. Novikov、Hannah M. Rhoda、Cole D. Holstrom、Yuriy V. Zatsikha、Mekhman S. Yusubov、Yan Z. Voloshin、Victor N. Nemykin

  DOI：10.1021/acs.inorgchem.6b01936

  日期：2016.11.21

  Redox properties of all complexes were probed using electrochemical and spectroelectrochemical approaches. Electrochemical and spectroelectrochemical data suggestive of a very weak, if any, long-range electronic coupling between two porphyrin π-systems in FeNx3(MTPP)2 complexes. Density functional theory and time-dependent density functional theory calculations were used to correlate spectroscopic signatures

  利用n之间的金属转移反应获得了第一个杂化的二核和三核铁（II）-锆（IV）和铁（II）-ha（IV）带有一个或两个顶端5,10,15,20-四苯基卟啉片段的大双环配合物。-丁基硼-三乙基锑封端或双（三乙基锑）封端的笼形螯合物铁（II）前体和二氯锆（IV）-或二氯ha（IV）-5、10、15、20-四苯基卟啉。通式为FeNx 3（（B n -Bu）（MTPP））和FeNx 3（MTPP）2的新的双核和三核卟啉螯合物[M = Zr，Hf; TPP = 5,10,15,20-tetraporphyrinato（2-）; Nx = nioximo（2-）]的特征是一维（1 H和13 C 1 H}）和二维NMR（COSY和HSQC），高分辨率电喷雾电离质谱，UV可见和磁性圆二色性光谱，单晶X射线衍射实验以及元素分析。使用电化学和光谱电化学方法探测所有配合物的氧化还原性质。电化学和光谱电化学数据表明，FeNx
• Lomova, T. N.; Berezin, B. D., Russian Journal of Coordination Chemistry, 1993, vol. 19, p. 191 - 205
  作者：Lomova, T. N.、Berezin, B. D.

  DOI：——

  日期：——