dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV) | 30134-06-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV)
• 英文别名: dichlorotris(dimethylphenylphosphine)oxomolybdenum
• CAS: 30134-06-6
• 化学式: C₂₄H₃₃Cl₂MoOP₃
• 分子量: 597.293
• InChiKey: RLNHZGZEPWKUQI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.42
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV) 、 对甲氧基苯甲酰肼 以 甲醇 为溶剂， 生成 chlorobis(dimethylphenylphosphine)(p-methoxybenzoyldiazene)[p-methoxybenzoyldiazenido(1-)]molybdenum
  参考文献：
  名称：

  钼羰基配合物与取代肼的反应。部分2.钼（IV）氧代配合物aroylhydrazines和晶体和分子结构（的反应Ñ -benzoyldiazene- Ñ ' ö）[ Ñ -benzoyldiazenido（1 - ） - Ñ ']氯双（二甲基苯基膦）钼

  摘要：

  芳酰肼RCONHNH 2（R = Ph，p -ClC 6 H 4，p -NO 2 C 6 H 4，m -NO 2 C 6 H 4或1-C 10 H 7）与[MoOCl 2（PR' 3）3 ]（PR' 3 = PME 2 PH，PET 2 PH，PPR ñ 2 PH，PMePh 2，或PET 3），得到红色的复合物〔代替MoCl（N 2 COR）（NHNCOR）（PR'3） 2 ]。标题的结晶复合物与R = P h和PR' 3 = PME 2 pH下三斜晶系与一个= 8.710， b = 23.000， Ç = 16.370埃，α= 97.43，β= 89.21， γ = 101.33°，空间群P，和ž = 4的结构已经由Patterson和傅立叶方法解决，而且精制，用3个939独立反射，到ř0.098。它由两个晶体学独立的单体分子组成，两个分子均具有扭曲的八面体配位。它们被认为是化学等价的

  DOI：

  10.1039/dt9790000921
• 作为产物：
  描述：

  mer-Mo(PMe2Ph)3Cl3 以 异丙醇 为溶剂， 生成 dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV)
  参考文献：
  名称：

  Studies of distortional isomers: spectroscopic evidence that green cis,mer-dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV) is a mixture

  摘要：

  The blue (1) and green (2) forms of cis,mer-MoOCl2(PMe2Ph)3 are not distortional isomers. An authentic sample of green 2 has been chromatographically and spectroscopically characterized to be a 65:35 mole fraction mixture of blue cis,mer-MoOCl2(PMe2Ph)3 and yellow mer-MoCl3(PMe2Ph)3 (yellow 3), respectively. Thin-layer chromatography separates green 2 into two individual peaks due to blue 1 and yellow 3. Elemental analysis of green 2 shows a significantly higher percent chlorine relative to blue 1, consistent with the presence of a 0.35 mole fraction of yellow 3 in green 2. Both infrared (500-150 cm-1) and Raman (1625-125 cm-1) spectra of green 2 have distinct features due to contributions from blue 1 and yellow 3. Furthermore, Raman spectra of blue 1 and green 2 indicate a nu(Mo=O) band at 944 +/- 1 cm-1 that is conspicuously absent in the spectrum of yellow 3. The 500-MHz H-1 NMR spectrum for green 2 shows several resonances characteristic of paramagnetic yellow 3 in the regions +7.5 to + 11.5 ppm and -22 to -41 ppm. Visible spectroscopy implies that the color of green 2 is due to the summation of absorptions from blue 1 and yellow 3. X-ray photoelectron spectroscopy (XPS) of the Mo 3d regions resolves the contributions from the Mo(IV) (blue 1) and Mo(III) (yellow 3) species in green 2. Both the visible and XPS results confirm the 65:35 (blue 1:yellow 3) molar composition of green 2. The facile cocrystallization of blue 1 and yellow 3 to give green 2 is likely driven by the increased entropy of the green 2 crystals, which decreases the free energy of crystallization. Similar compositional disorder processes are probably responsible for the anomalous bond lengths ascribed to distortional (bond stretch) isomerism in other series of inorganic complexes.

  DOI：

  10.1021/ja00024a027

文献信息

• Reactions of molybdenum oxo-complexes with substituted hydrazines. Part 1. The preparation of molybdenum alkyl- and aryl-imido-complexes; the crystal and molecular structure of (N-benzoyl-N′-p-tolyldiazene-N′O)dichloro(dimethylphenylphosphine)(p-tolylimido)molybdenum
  作者：Michael W. Bishop、Joseph Chatt、Jonathan R. Dilworth、Michael B. Hursthouse、S. Amarasiri A. Jayaweera、Andrew Quick

  DOI：10.1039/dt9790000914

  日期：——

  The molybdenum(IV) oxo-complexes [MoOCl2(PR″3)3](PR″3= PMe2Ph or PEt2Ph) react with the substituted hydrazines RCONHNHR′(R = Ph, p-ClC6H4, p-MeC6H4, p-MeOC6H4, Et, Prn, Pri, or CH2Ph; R′= Ph, p-ClC6H4,p-MeOC6H4, 1-C10H7, or Me) to give the imido-complexes [MoCl2(NR′)(R′N2COR)(PR″3)]. The crystal and molecular structure of the title complex has been determined from single-crystal X-ray diffractometer

  钼（IV）氧配合物[MoOCl 2（PR” 3）3 ]（PR” 3 = PMe 2 Ph或PEt 2 Ph）与取代的肼RCONHNHR'（R = Ph，p -ClC 6 H 4，p -MeC 6 H 4，p -MeOC 6 H 4，Et，Pr n，Pr i或CH 2 Ph; R'= Ph，p -ClC 6 H 4，p -MeOC 6 H 4，1-C 10 ħ 7，或Me），得到亚氨基配合物[代替MoCl 2（NR'）（R'N 2 COR）（PR“ 3）]。标题配合物的晶体和分子结构已经由单晶X射线衍射仪数据确定。晶体是单斜晶体，a = 8.995，b = 19.090，c = 17.860Å，β= 104.15°，空间群P 2 1 / c，Z = 4。使用2279个独立观察到的反射对正方形进行细化已达到R= 0.066。配合几何是八面体变形的。金属－二烯螯合物体系相当平坦，键长表明螯合物环
• The co-ordination chemistry of molybdenum and tungsten. Part 9. Oxomolybdenum-(IV) and -(V) complexes of methyl-substituted bidentate Group 5B ligands
  作者：Charles A. McAuliffe、Barry J. Sayle、William Levason

  DOI：10.1039/dt9770002055

  日期：——

  preparation of oxomolybdenum(V) complexes [MoOCl3(L–L)] with the bidentate ligands (L–L) 1,3-bis(dimethylphosphino)propane, 1,3-bis(dimethylarsino)propane, (3-dimethylphosphinopropyl)dimethylarsine, o-phenylenebis( dimethylarsine), and (2-dimethylarsinophenyl)dimethylstibine are descried. On the basis of their e.s.r. spectra the first three complexes have fac structures. Oxomolybdenum(IV) cations [MoO(Cl)(L–L)2]+

  具有双齿配体（L–L）1,3-双（二甲基膦基）丙烷，1,3-双（二甲基ar基）丙烷，（3-二甲基膦基丙基）的氧钼（V）配合物[MoOCl 3（L–L）]的制备描述了）二甲基ar ，邻-亚苯基双（二甲基ar）和（2-二甲基ar苯基）二甲基sti。根据它们的esr光谱，前三个配合物具有fac结构。氧钼（IV）阳离子[MoO（Cl）（L–L）2 ] +由[MoOCl 2（PMe 2 Ph）3 ]和L–L制备，并由1 H nmr表示具有反式-伪八面体结构。
• Yoon, Keum; Parkin, Gerard; Rheingold, Arnold L., Journal of the American Chemical Society, 1992, vol. 114, # 6, p. 2210 - 2218
  作者：Yoon, Keum、Parkin, Gerard、Rheingold, Arnold L.

  DOI：——

  日期：——
• Chatt, Joseph; Crichton, Brian A. L.; Dilworth, Jonathan R., Inorganic Chemistry, 1982, vol. 21, # 6, p. 2383 - 2391
  作者：Chatt, Joseph、Crichton, Brian A. L.、Dilworth, Jonathan R.、Dahlstrom, Phillip、Gutkoska, Robert、Zubieta, Jon

  DOI：——

  日期：——
• Carmona, Ernesto; Galindo, Agustín; Guille-Photin, Christian, Inorganic Chemistry, 1988, vol. 27, # 3, p. 488 - 492
  作者：Carmona, Ernesto、Galindo, Agustín、Guille-Photin, Christian、Laï, Richard、Monge, Angeles、Ruiz, Caridad、Sánchez, Luis

  DOI：——

  日期：——