[N(n-Bu)4][(Mo(η3-C3H5)(CO)2)2(μ-Cl)2(μ-OMe)] | 279245-65-7

• 英文名称: [N(n-Bu)4][(Mo(η3-C3H5)(CO)2)2(μ-Cl)2(μ-OMe)]
• CAS: 279245-65-7
• 化学式: C₁₁H₁₃Cl₂Mo₂O₅*C₁₆H₃₆N
• 分子量: 730.476
• InChiKey: YPQSBUQTGZBEMF-UHFFFAOYSA-L

反应信息

• 作为产物：
  描述：

  [(η(3)-allyl)(chloro)dicarbonylbis(methyl cyanide)molybdenum(II)] 、 lithium 2,2'-bisimidazolate 以 not given 为溶剂， 生成 [N(n-Bu)4][(Mo(η3-C3H5)(CO)2)2(μ-Cl)2(μ-OMe)]
  参考文献：
  名称：

  From molecules to aggregates: crystal structures of molybdenum binuclear complexes

  摘要：

  The new complexes [MoCl(eta(3)-C3H5)(CO)(2)(H(2)biim)], [(NBu4)-Bu-n][{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)2(mu-OMe)], and [PPN][{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(3)] (PPN is Ph3P=N+=PPh3) were synthesized and the two binuclear compounds were characterized by single-crystal X-ray diffraction. Although an anion [{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(3)](-) has been described in the literature, being formed both in solution and in the solid, another conformer was present in the crystal of [PPN][{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(3)], exhibiting an eclipsed arrangement of the allyl groups. The same arrangement was found for the [{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(2)(mu-OMe)](-) anion. Cyclic voltammetry data show that the eclipsed conformer of [{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(3)](-) remains in solution, as the other one, with staggered allyl groups, is formed when dissolving the parent compound [MoCl(eta(3)-C3H5)(CO)(2)(NCMe)(2)] and exhibits a distinctive pattern. Density functional theory (DFT) calculations showed the two conformers to have very similar energies, both for this and for the related anion [{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(2)(mu-OMe)](-). The crystal structure of [PPN][{Mo(eta(3)-C3H5)(CO)(2)}(2)(mu-Cl)(3)] exhibits double channels formed by the PPN cation which are occupied by chains of the binuclear anions. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00018-8