| 158730-67-7

• CAS: 158730-67-7
• 化学式: C₆₀H₇₂Cl₂Cr₂N₂P₄Si₄
• 分子量: 1232.38
• InChiKey: HQTAVDDGRZTVEQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 cyclopentadienyl sodium*1,2-dimethoxyethane 以 四氢呋喃 为溶剂， 以86%的产率得到bis[diphenylphosphanylmethyl(dimethyl)silyl]azanide;chromium(2+);cyclopenta-1,3-diene
  参考文献：
  名称：

  偶电子顺磁性铬（II）配合物的合成与结构

  摘要：

  In an effort to develop the coordination chemistry of Cr(II), we have prepared the starting chloro-bridged dimer {[(Ph(2)PCH(2)SiMe(2))(2)N]Cr}(2)(mu-Cl)(2) by reaction of the lithium salt LiN-(SiMe(2)CH(2)PPh(2))(2) with CrCl2 . THF. Subsequent replacement of the remaining chloride leads to the formation of mononuclear organochromium complexes of the general formula CrR-[N(SiMe(2)CH(2)PPh(2))(2)] (R = Me, CH(2)Ph, C5H5). The methyl and benzyl complexes display nearly planar geometries around each Cr(II) and both show high-spin (spin-only) d(4) configurations; the solid-state structure of the benzyl derivative shows that the benzyl ligand is bound in an eta(2) fashion. The cyclopentadienyl derivative is low spin (two unpaired electrons) and shows a geometry with the tridentate ligand in a distorted facial orientation and the cyclopentadienyl unit eta(5)-bound. Semiempirical ZINDO restricted open-shell Hartree-Fock studies confirm the stabilities of the various spin states of the isolated complexes.

  DOI：

  10.1021/om00011a042

文献信息

• One-electron oxidation of paramagnetic chromium(II) alkyl complexes with alkyl halides: synthesis and structure of five-coordinate chromium(III) complexes
  作者：Michael D. Fryzuk、Daniel B. Leznoff、Steven J. Rettig、Victor G. Young, Jr.

  DOI：10.1039/a806099a

  日期：——

  The reaction of square-planar, high-spin CrR[N(SiMe2CH2PPh2)2] (R = Me, CH2SiMe3) with alkyl halides (MeI, CF3CH2I, MeBr, PhCH2Cl) generates one-electron oxidation products Cr(R)X[N(SiMe2CH2PPh2)2], unusual examples of five-coordinate chromium(III) complexes. Cr(Me)Br[N(SiMe2CH2PPh2)2] and Cr(CH2SiMe3)Cl[N(SiMe2CH2PPh2)2] have been structurally characterized. Alkylation of the latter complex with LiCH2SiMe3

  方平面，高自旋CrR [N（SiMe 2 CH 2 PPh 2）2 ]（R = Me，CH 2 SiMe 3）与烷基卤化物（MeI，CF 3 CH 2 I，MeBr，PhCH 2 Cl ）生成单电子氧化产物Cr（R）X [N（SiMe 2 CH 2 PPh 2）2 ]，这是五配位铬（III）配合物的不寻常例子。Cr（Me）Br [N（SiMe 2 CH 2 PPh 2）2 ]和Cr（CH 2 SiMe 3）Cl [N（SiMe 2CH 2 PPh 2）2 ]在结构上已得到表征。后者的络合物​​与LiCH 2 SiMe 3的烷基化得到五配位的Cr（III）二烷基络合物Cr（CH 2 SiMe 3）2 [N（SiMe 2 CH 2 PPh 2）2 ]，其在结构上也被表征。试图分离空间上不受阻碍的Cr（III）二烷基（例如二甲基）配合物导致分解。过量的PhCH的加成2 CI至[（PH 2 PCH