mono(tetraethylammonium) monotetraselenomolybdate | 114956-91-1

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: mono(tetraethylammonium) monotetraselenomolybdate
• CAS: 114956-91-1
• 化学式: 2C₈H₂₀N*MoSe₄
• 分子量: 672.287
• InChiKey: JVEMXMPCOVVNGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  14.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  mono(tetraethylammonium) monotetraselenomolybdate 以 乙醚 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Wardle, Robert W. M.; Mahler, Charles H.; Chau, Chung-Nin, Inorganic Chemistry, 1988, vol. 27, # 16, p. 2790 - 2795

  摘要：

  DOI：
• 作为产物：
  描述：

  potassium triselenide 、 四乙基溴化铵 、 molybdenum hexacarbonyl 以 正庚烷 、 N,N-二甲基甲酰胺 为溶剂， 以69%的产率得到mono(tetraethylammonium) monotetraselenomolybdate
  参考文献：
  名称：

  含有MFe3Se4核（MMo，W）的“双古巴”配合物的合成与表征

  摘要：

  摘要在环境温度下，在甲醇或乙醇中的（Et4N）2MSe4（MMo，W）/ FeCl3 / EtSH / Na反应体系产生三种主要产物：[M2Fe6Se8（SEt）9] 3-，[M2Fe7Se8（SEt）12 ] 3−（MMo，W）; 和[W2Fe7Se8（SEt）12] 4-作为Et4N +盐可分离。（Et4N）3 [Mo2Fe6Se8（SEt）9]的结构已通过单晶X射线衍射确定。它在a = 17.453（3），c = 16.575（2）A和Z = 2的六边形空间群P63 / m中结晶。[Mo2Fe7Se8（SEt）12] 3-与6当量的乙酰氯或芳硫醇反应，得到新的簇，取代了末端的乙硫醇盐配体：[Mo2Fe7Se8（SEt）6Cl6] 3-和[Mo2Fe7Se8（SEt）6（SC6H4X）6 ] 3-，X ＝ H，Cl。（Et 4 N）3 [Mo 2 Fe 7 Se 8（SEt）6（SC

  DOI：

  10.1016/s0020-1693(00)80393-x

文献信息

• Synthesis, characterization and optical non-linearity of two heterobimetallic copper clusters containing tetraselenometalates
  作者：Qian-Feng Zhang、Chi Zhang、Ying-Lin Song、Xin-Quan Xin

  DOI：10.1016/s0022-2860(99)00414-7

  日期：2000.7

  Abstract Cluster [MoCu 3 Se 3 Br}(PPh 3 ) 3 Se]·3THF·H 2 O ( 1 ·3THF·H 2 O) was prepared from reaction of [Et 4 N] 2 [MoSe] 4 , Cu(PPh 3 ) 2 NO 3 and Et 4 N·Br in CH 2 Cl 2 solution; also, 1 can be also obtained from the reaction of [MoSe 4 Cu 4 Py 6 Br 2 ] and excess PPh 3 in a DMF–CH 2 Cl 2 mixture solvent. The 95 Mo NMR technique was used to monitor the above two reaction processes. X-ray crystallographic

  摘要 [MoCu 3 Se 3 Br}(PPh 3 ) 3 Se]·3THF·H 2 O ( 1 ·3THF·H 2 O) 是由[Et 4 N] 2 [MoSe] 4 , Cu( PPh 3 ) 2 NO 3 和Et 4 N·Br在CH 2 Cl 2 溶液中；此外，1 也可以通过 [MoSe 4 Cu 4 Py 6 Br 2 ] 和过量 PPh 3 在 DMF-CH 2 Cl 2 混合溶剂中的反应获得。95 Mo NMR技术用于监测上述两个反应过程。X 射线晶体结构测定表明它包含一个强烈扭曲的立方体状 MoCu 3 Se 3 Br} 核。中心钼原子和每个铜原子的配位从四面体扭曲。簇 [WCu 3 Se 3 Cl}(PPh 3 ) 3 Se] ( 2 ) 是由 [Et 4 N] 2 [WSe] 4 和 Cu(PPh 3 ) 2 Cl 在固态下反应合成的，用于非线性光学(NLO) 研究。Ibers
• Syntheses of cluster compounds with MoCu4 core. X-ray crystal structures of [MoCu4Se4Cl2(Py)6] and (Et4N)2[MoCu4S4(S2CNMe2)4]
  作者：Rong Cao、Qianfeng Zhang、Weiping Su、Mutai Bao、Yu Zheng、Maochun Hong

  DOI：10.1016/s0277-5387(98)00300-3

  日期：1998.12
• Chemistry of the Tetraselenomolybdate Anion:  Syntheses, Spectroscopic Results, and Structural Characterizations of Polynuclear Mo−Cu−Se Compounds Containing Thiolate Ligands
  作者：Maochun Hong、Qianfeng Zhang、Rong Cao、Daxu Wu、Jiutong Chen、Wenjian Zhang、Hanqin Liu、Jiaxi Lu

  DOI：10.1021/ic9706459

  日期：1997.12.1

  In the study on the reactivity of tetraselenomolybdate, a DMF solution of [Et4N](2)[MoSe4] was found to react with 3 equiv of CuCl in the presence of NaS2CNR2 [R-2 = Et-2, C5H10, (PhCH2)(2), Me-2] to give a series of Mo-Cu-Se compounds, [Et4N](2)[MoCu3Se4(R2NCS2)(3)] (R-2 = Et-2 (1a), C5H10 (1b), (PhCH2)(2) (1c)) and [Et4N](2)[MoCu4Se4(Me2NCS2)(4)] (2). Furthermore, the reaction of 2 or [Et4N](2)[MoSe4(CuCN)(2)] with [Et4N](2)[Cu(SPh)(3)] in DMF/MeCN afforded a polynuclear Mo-Cu-Se cluster compound, [Et4N](4)[MoCu10Se4(PhS)(12)] (3). [Et4N](2)[MoCu3Se4(Et2NCS2)(3)] (la) crystallizes in the orthorhombic space group P2(1)2(1)2(1) With cell dimensions a = 12.949(3) Angstrom, b = 13.339(3) Angstrom, c = 29.744(6) Angstrom, V = 5137.6 Angstrom(3), and Z = 4. Full anisotropic refinements of the structure led to convergence with a value of R = 0.052 (R-w = 0.055) for 453 variables and 6854 reflections (F > 4.0 sigma(F)). The [MoCu3Se4(Et2NCS2)(3)](2-) anion in la comprises three Et2NCS2Cu fragments linked by a slightly distorted tetrahedral MoSe4 moiety. Compound 2 crystallizes in the orthorhombic space group Pbca with cell constants a = 14.600(3) Angstrom, b = 18.765(4) Angstrom, c = 37.781(8) Angstrom, V = 10351 Angstrom(3), and Z = 8. Anisotropic refinements with 5328 reflections (F > 4.0 sigma(F)) and 460 parameters for all non-hydrogen atoms yielded the values of R = 0.075 and R-w = 0.080. The [MoCu4Se4(Me2NCS2)(4)](2-) anion structure of 2, which possesses a pseudo D-2d symmetry of the MoSe4Cu4 core and a nearly planar MoCu4 array, consists of four Me2NCS2Cu fragments coordinated across four edges of the tetrahedral [MoSe4](2-) moiety. The compound [Et4N](4)[MoCu10Se4(PhS)(12)] (3) crystallizes in the tetragonal space group with cell dimensions a = 18.344(3) Angstrom, c = 18.368(4) Angstrom, V = 6180.9 Angstrom(3), and Z = 2. A value of R = 0.079 (R-w = 0.084) for 218 parameters and 3314 observations (F > 4.0 sigma(F)) was obtained from anisotropic refinements of the non-hydrogen atoms. The [MoCu10Se4(PhS)(12)](4-) anion structure of 3 can be described as six Cu atoms bonded across the six edges of a central MoSe4 tetrahedron, forming an octahedral MoSe4Cu6 array, to which the other four Cu atoms are added in a tetrahedral array bridged by 12 mu-SPh ligands. The Mo-95 NMR spectra of the all compounds in DMF show a single resonance peak.Their chemical shifts are dependent on the deshielding effect from the number of the Cu atoms around Mo atom and the structures of the compounds. The H-1 NMR, IR, and electronic spectroscopic data of these compounds are also consistent with their solid-state structures.
• Polynuclear silver compound formed from aggregation of Se2− and Ag(I)-thiolate complex. Synthesis, structure and spectroscopic characterization of Ag11(μ5-Se)(μ4-Et2NCS2)3(μ3-Et2NCS2)6
  作者：Qianfeng Zhang、Rong Cao、Maochun Hong、Weiping Su、Hanqin Liu

  DOI：10.1016/s0020-1693(97)06148-3

  日期：1998.8

  The reaction of Et2NCS2Ag with [Et4N](2)MoSe4 or Na2Se in DMF/CH3CN gave rise to a polynuclear silver cluster compound Ag-11(mu(5)-Se) (mu(4)-Et2NCS2)(3)(mu(3)-Et2NCS2)(6), which crystallized in trigonal space group R3c with a = 18.633(6), c = 43.032(12) Angstrom, and Z=6. The molecule possesses a crystallographic C-3, symmetry axis and three equivalent units of Ag-3(Et2NCS2)(3). The average AE-AE and Ag-Se distances are 3.004(3) and 2.801(4) Angstrom, respectively. The structure is discussed together with its IR, UV-Vis and H-1 NMR spectra. The compound shows an intense emission with lambda(max),, at 565 nm in the solid state. Cyclic voltammetry and thermal gravimetric analysis of the title compound are also reported. (C) 1998 Elsevier Science S.A. All rights reserved.
• Syntheses and spectroscopic characterizations of the compounds containing univalent coinage metal and tetraselenomolybdate. Crystal structure of [MoSe4(AuPPh3)2]
  作者：Qianfeng Zhang、Rong Cao、Maochun Hong、Daxu Wu、Wenjian Zhang、Yu Zhen、Hanqin Liu

  DOI：10.1016/s0020-1693(97)05907-0

  日期：1998.4

  From the reactions of [Et4N](2)MoSe4 and M(PPh3)(n)L (M = Cu, Ag, Au; L = Cl, NO3; n = 1-2) in CH2Cl2, a series of compounds containing univalent coinage metal and an MoSe42- unit, [MoSe4(CuPPh3)Cu(PPh3)(2)}] (1), [MoSe4(AgPPh3) Ag(PPh3)(2)}] (2), [MoSe4(AgPPh3)(2)] (3), [MoSe4(AuPPh3)(2)] (4), [(MoSe3)Se(CuPPh3)(3)Cl] (5) and [(MoSe3)Se(AgPPh3)(3)Cl] (6), have been isolated and characterized by Mo-95 NMR, IR and Raman spectra. The Mo-95 chemical shifts are mainly dependent upon the shielding effects from the number of the coinage metal atoms around the Mo atom and the geometric structure of the molecule. The shielding order is Au > Cu > Ag. The crystal structure of 4 has been determined by X-ray single-crystal diffraction analysis. It crystallizes in the triclinic space group P-l with cell constants a = 9.570(2), b = 10.755(2), c = 19.837(4) Angstrom; alpha = 89.59(3), beta= 80.37(3), gamma = 68.33(3)degrees and Z= 2. The molecule has a linear structure with an average Mo-Au distance of 2.846(2) Angstrom. (C) 1998 Elsevier Science S.A.