[NEt₄][Mo(CO)₅I] | 14781-00-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [NEt₄][Mo(CO)₅I]
• 英文别名: [tetraethylammonium][Mo(CO)₅I]；tetraethylammonium pentacarbonyliodomolybdenum(0)；Carbon monoxide;molybdenum;tetraethylazanium;iodide
• CAS: 14781-00-1
• 化学式: C₅IMoO₅*C₈H₂₀N
• 分子量: 493.15
• InChiKey: JCOCPRQCYLSECN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [NEt₄][Mo(CO)₅I] 在 I₂ 作用下， 以 further solvent(s) 为溶剂， 以93%的产率得到(Et4N)(Mo(CO)4I3)
  参考文献：
  名称：

  Eldredge; Bose; Barber, Inorganic Chemistry, 1991, vol. 30, # 10, p. 2365 - 2375

  摘要：

  DOI：
• 作为产物：
  描述：

  四乙基碘化铵 、 molybdenum hexacarbonyl 以 二乙二醇二甲醚 为溶剂， 以86%的产率得到[NEt₄][Mo(CO)₅I]
  参考文献：
  名称：

  Eldredge; Bose; Barber, Inorganic Chemistry, 1991, vol. 30, # 10, p. 2365 - 2375

  摘要：

  DOI：

文献信息

• Metal complexation of thioacylferrocenes: crystal structures of pentacarbonyl(thiobenzoylferrocene-S) chromium and benzoylferrocene
  作者：John C. Barnes、William Bell、Christopher Glidewell、R.Alan Howie

  DOI：10.1016/0022-328x(90)85008-m

  日期：1990.3

  X-ray diffraction study. The structure consists of isolated molecules in which a Cr(CO)5 fragment of approximate C4v symmetry is bonded via sulphur to the thioacylferrocene with an CrS bond length of 2.412(1) Å, an SC bond length of 1.667(2) Å and a C-S-Cr angle of 121.9(1)°. Photo oxidation of (C5H5)Fe[C5H4CPhSM(CO)5}] yields benzoylferrocene the crystal structure of which was determined.

  Acylferrocenes（C 5 H ^ 5）的Fe（C 5 H ^ 4 COR）（RCH 3，C 2 H ^ 5，（CH 3）2 CH，（CH 3）3 C或PH）可以容易地thionated得到thioacylferrocenes由在非极性溶剂（如CH 2 Cl 2或甲苯）中使用P 4 S 10；使用极性溶剂（例如THF或二甘醇二甲醚）的转化率非常低。硫代苯甲酰基二茂铁易于与Et 4 N + -[M（CO）5 I] -反应（M = Cr，Mo或W）在硝酸银的存在下生成（C 5 H 5）Fe [C 5 H 4 CPh SM（CO）5 }]，其中M（CO）5是X射线衍射研究表明，该键与硫原子键合。该结构由分离的分子组成，其中大约C 4 v对称的Cr（CO）5片段通过硫键合到硫代二茂铁上，CrS键长为2.412（1）Å，SC键长为1.667 （2）Å，CS-Cr角为121.9（1）°。（C
• Herrick, Richard S.; Templeton, Joseph L., Inorganic Chemistry, 1986, vol. 25, # 8, p. 1270 - 1276
  作者：Herrick, Richard S.、Templeton, Joseph L.

  DOI：——

  日期：——
• Kober, F.; Kerber, M., Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Kober, F.、Kerber, M.

  DOI：——

  日期：——
• Synthesis and reactivity of oxygen ligated molybdenum(II) carbonyl complexes
  作者：Joseph Becica、Andrew B. Jackson、Brian M. Koronkiewicz、Nicholas A. Piro、W. Scott Kassel、Nathan M. West

  DOI：10.1016/j.poly.2014.06.007

  日期：2014.12

  Bis(acetylacetonate) and bis(tropolonate) complexes of Moll were synthesized by combining [NEt4] [Mo(CO)(4)(I)(3)] and two equivalents of the ligand, followed by trapping with either an alkyne or phosphine. Alkyne complexes (trop)(2)Mo(CO)(PhC CH) (1b) and (acac)(2)Mo(CO)(Ph (R = Me (2a), H (2b)) were characterized crystallographically. The allcyne ligands undergo rapid rotation at room temperature on the NMR time scale and the barrier to rotation for the butyne complexes (LX)(2)Mo(CO)(MeC CMe) (LX = trop (1c), acac (2c)) were measured by variable temperature NMR. The rotational barrier of the tropolonate derivative lc is 1.6 kcal/mol lower than that of the acetylacetonate derivative 2c despite the fact that trop is both smaller and less basic than acac. The coordinated alkynes will readily undergo exchange with free alkyne in solution and, on a slower time scale, the CO ligand can be displaced to form the bis(alkyne) species (LX)(2)Mo(RC CR)(2) (4). The CO ligand of (LX)(2)Mo(CO)(PI1C---=,---CH) can also be readily displaced by P(OMe)(3) to form (LX)(2)Mo(P(OMe)(3))(PhC:=---CH), but larger phosphorus donors do not react. Alkyne complexes 1 and 2 will oxidize in air to the d(2) species (LX)(2)Mo(0)(RC-----CR) in which the alkyne has been rotated perpendicular to the Mo-O bond and locked in position. The synthesis of the (LX)2Mo(CO) fragment reported here provides access to oxygen ligated low-valent Mo species which have thus far remained elusive. (C) 2014 Elsevier Ltd. All rights reserved.
• Improved synthesis of the heteronuclear phosphido Mo–W complex and its use as MOCVD precursor
  作者：Marino Basato、Enrico Brescacin、Eugenio Tondello、Giovanni Valle

  DOI：10.1016/s0020-1693(01)00603-x

  日期：2001.10

  The heteronuclear complex [(Co)(4)Mo(mu -PMe2)(2)W(CO)(4)] (1) has been prepared by thermal cyclization of the linear dimer [(CO)(5)MoPMe2PMe2W(CO)(5)]. An improved yield in 1, with respect to the literature, has been obtained with a different synthetic route to the linear complex and with a better separation, by flash chromatography, of 1 from its homonuclear Mo-Mo and W-W congeners. The conditions of thermal cyclization are rather critical and in one case the major product was the phosphine complex [M(mu -PMe2)(CO)(3)(PMe3)](2) (M = Mo and W in 1/4 ratio: monoclinic, space group P2(1)/n, a = 9.568(1), b = 9.305(1), c = 15.009(2) Angstrom, beta = 102.3(1)degrees, Z = 2, R = 0.035, R-w = 0.036). Complex 1 is a convenient MOCVD precursor and sublimes at low temperatures, less than or equal to 85 degreesC, to give thin films of mixed MoO3/WO3 oxides or Mo/W alloys, depending on the deposition conditions. (C) 2001 Elsevier Science B.V. All rights reserved.