MoO2(pipdtc)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: MoO2(pipdtc)2
• 英文别名: Dioxomolybdenum(2+);piperidine-1-carbodithioate
• 化学式: C₁₂H₂₀MoN₂O₂S₄
• 分子量: 448.507
• InChiKey: GTFSHNOYXCGIRZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  盐酸 、 MoO2(pipdtc)2 以 丙酮 为溶剂， 以79%的产率得到
  参考文献：
  名称：

  Spectroscopic investigation of dichloro and hydrazido(2-) derivatives of bis(dithiocarbamato)dioxomolybdenum(VI) compounds. Crystal and molecular structure of bis(diisobutyldithiocarbamato) (N, N-dimethylhydrazido(2-)-N′)oxomolybdenum(VI)

  摘要：

  The reaction of bis(dithiocarbamato)dioxomolybdenum(VI) compounds, MoO2(S2CNRR')2, with hydrochloric acid yields MoOCl2(S2CNRR')2 in which molybdenum is seven-coordinated. An oxo ligand is also replaced when MoO2(S2CNRR')2 is reacted with N,N-dimethylhydrazine, HNNMe2. The products were characterised and their IR and electronic excitation spectra were measured and analysed. The spectra suggest that in these highly distorted octahedral compounds the N,N-dimethylhydrazido(2-) ligand is cis to the terminal oxo group. This was confirmed by the X-ray structure determination of bis(diisobutyldithiocarbamato)(N,N-dimethylhydrazido(2-)-N')oxomolybdenum(VI) . The unit cell of MoO(NNMe2)(S2CN(i-Bu)2)2 has dimensions a = 19.641(5), b = 10.317(2), c = 17.702(5) angstrom, alpha = gamma = 90, beta = 109.69(2)-degrees, belongs to space group Cc and contains four molecules. Structure solution and refinement based on 344 unique reflections converged at a conventional discrepancy value of 0.038. Comparison with closely related compounds reveals that while alkyl and aryl groups in the hydrazido(2-) ligand have no appreciable effect on the metal-nitrogen bond and the linearity of the Mo-N-N fragment, substituents attached to the dithiocarbamato moieties exert strong influence on the electron distribution of the (N,N-dimethylhydrazido(2-) ligand thus affecting its more of interaction with the molybdenum centre. The O-Mo-N angle of 112.9-degrees is wider than those observed in similar compounds while the N-N distance of 139 pm in the dimethylhydrazido(2-) group is the longest N-N bond encountered in this particular ligand.

  DOI：

  10.1016/0020-1693(93)03761-x
• 作为产物：
  描述：

  ammonium molybdate 、 piperidinyl-N-carbodithioate anion 在 硝酸 作用下， 以 乙醇 、 水 为溶剂， 生成 MoO2(pipdtc)2
  参考文献：
  名称：

  Gopalakrishnan Nair, B.; Prabhakaran, C. P., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical

  摘要：

  DOI：

文献信息

• Substituent effects of cis-dioxobis(dithiocarbamato) molybdenum(VI) on redox properties: redox potentials for one-electron reduction and second-order rate constants for oxygen atom transfer
  作者：Kei Unoura、Akira Yamazaki、Akira Nagasawa、Yoshikiyo Kato、Hiroki Itoh、Hideaki Kudo、Yutaka Fukuda

  DOI：10.1016/s0020-1693(97)05813-1

  日期：1998.3

  The electrochemical properties of a series of cis-dioxobis(dithiocarbamato)molybdenum(VI) complexes [MoO2(RR′dte)2] (RR′dte = N,N-disubstituted dithiocarbamate) and the oxygen atom transfer reactions between [MoO2(RR′dte)2] and PPh3 in 1,2-C2H4Cl2 at 25°C are systematically investigated. A good correlation between logarithmic values of second-order rate constants k1 of the oxygen atom transfer reactions

  一系列顺式-二氧杂双（二硫代氨基甲酸酯）钼（VI）的电化学性质[MoO 2（RR'dte）2 ]（RR'dte = N，N-二取代的二硫代氨基甲酸酯）和[MoO 2之间的氧原子转移反应对25℃下1,2-C 2 H 4 Cl 2中的（RR'dte）2 ]和PPh 3进行了系统研究。氧原子转移反应的二阶速率常数k 1的对数值与[MoO 2 OP 2 RR'dte）2 ] 0的氧化还原电势E °'具有良好的相关性1个耦合观察到在大范围内的ķ 1（0.012至0.61米每秒2）; log k 1的值随着E 0的增加而线性增加。对于[MoO 2（Bz 2 dte）2 / PPh 2 [MoO 2（Ph 2 dte）2 ] / PPh 1和[MoO 2（BzPhdte）2 ] PPh 1系统，可以准确观察到与相关线的偏离。负激活熵（ΔS '= -114 J mol +1 K +1对于[MoO 2（Et
• Yu, Shi-Bao; Holm, Inorganic Chemistry, 1989, vol. 28, # 24, p. 4385 - 4391
  作者：Yu, Shi-Bao、Holm

  DOI：——

  日期：——
• Pandeya, Krishna B.; Kaul, Bharat B., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1982, vol. 12, p. 259 - 268
  作者：Pandeya, Krishna B.、Kaul, Bharat B.

  DOI：——

  日期：——
• Gopalakrishnan Nair, B.; Prabhakaran, C. P., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical
  作者：Gopalakrishnan Nair, B.、Prabhakaran, C. P.

  DOI：——

  日期：——
• Spectroscopic investigation of dichloro and hydrazido(2-) derivatives of bis(dithiocarbamato)dioxomolybdenum(VI) compounds. Crystal and molecular structure of bis(diisobutyldithiocarbamato) (N, N-dimethylhydrazido(2-)-N′)oxomolybdenum(VI)
  作者：Anagnostis C. Stergiou、Sophia Bladenopoulou、Chris Tsiamis

  DOI：10.1016/0020-1693(93)03761-x

  日期：1994.3

  The reaction of bis(dithiocarbamato)dioxomolybdenum(VI) compounds, MoO2(S2CNRR')2, with hydrochloric acid yields MoOCl2(S2CNRR')2 in which molybdenum is seven-coordinated. An oxo ligand is also replaced when MoO2(S2CNRR')2 is reacted with N,N-dimethylhydrazine, HNNMe2. The products were characterised and their IR and electronic excitation spectra were measured and analysed. The spectra suggest that in these highly distorted octahedral compounds the N,N-dimethylhydrazido(2-) ligand is cis to the terminal oxo group. This was confirmed by the X-ray structure determination of bis(diisobutyldithiocarbamato)(N,N-dimethylhydrazido(2-)-N')oxomolybdenum(VI) . The unit cell of MoO(NNMe2)(S2CN(i-Bu)2)2 has dimensions a = 19.641(5), b = 10.317(2), c = 17.702(5) angstrom, alpha = gamma = 90, beta = 109.69(2)-degrees, belongs to space group Cc and contains four molecules. Structure solution and refinement based on 344 unique reflections converged at a conventional discrepancy value of 0.038. Comparison with closely related compounds reveals that while alkyl and aryl groups in the hydrazido(2-) ligand have no appreciable effect on the metal-nitrogen bond and the linearity of the Mo-N-N fragment, substituents attached to the dithiocarbamato moieties exert strong influence on the electron distribution of the (N,N-dimethylhydrazido(2-) ligand thus affecting its more of interaction with the molybdenum centre. The O-Mo-N angle of 112.9-degrees is wider than those observed in similar compounds while the N-N distance of 139 pm in the dimethylhydrazido(2-) group is the longest N-N bond encountered in this particular ligand.