| 187092-55-3

• CAS: 187092-55-3
• 化学式: C₁₇H₂₆Cl₂Mo
• 分子量: 397.239
• InChiKey: ZTEZHONQFOZYJL-ARLMWRGNSA-L

反应信息

• 作为产物：
  描述：

  3-己炔 、 生成
  参考文献：
  名称：

  Synthesis, characterisation, and molecular and electronic structure of CpMoCl2(R1CCR2) (R1, R2 = Ph, Et, Me): a new class of half-sandwich 17-electron molybdenum(III) organometallics

  摘要：

  Addition of alkyne to [CpMoCl2]2 affords compounds CpMoCl2(η2-alkyne) (alkyne = EtCCMe, 1; EtCCEt, 2; PhCCMe, 3; PhCCPh, 4) in good yields. The compounds have been characterised by C,H analyses, IR, EPR and mass spectroscopies, magnetic susceptibility, and cyclic voltammetry. In addition, a single crystal X-ray diffraction analysis has been carried out for compound 4. The alkyne ligand adopts an almost parallel conformation relative to the Cp ring, essentially identical with that of previously reported Nb, Ta, and W analogues. Geometry optimisations on the CpMCl2(HCCH) (M = Nb, Mo) model compounds show that the total energy is nearly independent of the alkyne orientation. The SOMO for M = Mo is an essentially metal-based orbital with a slight Mo-Cl π* component, in agreement with the observed trends in M–Cl bond lengths on going from Group 5 to Group 6. The cyclic voltammetric behaviour of 1–4 is similar to the analogous diene complexes CpMoCl2(η4-diene). A reaction between 1–4 and excess alkyne takes place only for the dialkylsubstituted alkyne complexes under forcing conditions. Compound CpMoCl2(η4-C4Et4H), 5, has been isolated from the reaction between 2 and excess EtCCEt and crystallographically characterized.

  DOI：

  10.1039/b000948m

文献信息

• Synthesis, structure and reactivity of η⁴(5e)-butadienyl substituted molybdenum complexes
  作者：Arno Fries、Michael Green、Mary F. Mahon、Thomas D. McGrath、Caroline B. M. Nation、Alan P. Walker、Christopher M. Woolhouse

  DOI：10.1039/dt9960004517

  日期：——

  Reaction of trimethyl phosphite with the aqua- or acetonitrile-substituted cations resulted in the stereoselective formation of the complexes [MoC(R)-η3-[C(R)C(R)CHR]}XP(OMe)3}(η-C5H5)][BF4](X = Br, R = Me 23; X = Cl, R = Me 24 and X = Br, R = Et 25). A single-crystal X-ray study of 23 confirmed the presence of a cisoid anti-supine η4(5e)-butadienyl ligand and also showed that the P(OMe)3 ligand occupies

  卤化锂的反应与阳离子络合物[沫（NCMe）（η 2 -alkyne）2 L]（L =η-C 5 H ^ 5或η 5 -C 9 ħ 7），得到卤代二（炔）取代的钼配合物[MOX（η 2 -alkyne）2 L]（X = Cl，Br或I）。的单晶X射线衍射研究的络合物[MOI（η 2 -MeC 2 Me）的2（η-C 5 H ^ 5）]表明，两种配体炔大致位于平行于内政部矢量和平面的η-C 5 H ^ 5配体。[MOX（η2 -RC 2 R） 2（η-C 5 H ^ 5）]用HBF 4 ·的Et 2个ö得到水性络合物的优异的产率[沫C（R）-η 3 [C（R）C（R）CHR ]} X（OH 2）（η-C 5 H ^ 5）] [BF 4 ]（X =氯，R =我9 ; X =氯，R =的Et 10 ; X = Br的，R =的Et 11和X = I，R = Et 12）; 阳离子的单晶X射线衍射研究11证实的协调小时存在2