[IPd(μ-dppm)2(μ-CN-C6H4-OMe)PtI] | 1148034-51-8

• 英文名称: [IPd(μ-dppm)2(μ-CN-C6H4-OMe)PtI]
• CAS: 1148034-51-8
• 化学式: C₅₈H₅₁I₂NOP₄PdPt
• 分子量: 1457.25
• InChiKey: GUCJPMFPUHMMKB-UHFFFAOYSA-L

计算性质

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

反应信息

• 作为反应物：
  描述：

  [IPd(μ-dppm)2(μ-CN-C6H4-OMe)PtI] 以 甲醇 为溶剂， 生成 [IPd(μ-dppm)2Pt(CN-C6H4-OMe)]I
  参考文献：
  名称：

  Properties of the [M(dppm)₂M′]²⁺ Building Blocks (M, M′ = Pd or Pt): Site Selectivity, Emission Features, and Frontier Orbital Analysis

  摘要：

  The homodinuclear [ClM(u-dppm)(2)MCl] complexes 1 (M = Pd) and 2 (M = Pt) react with RNC ligands (R = Ph, xylyl, p-tolyl, p-C(6)H(4)iPr) to provide the A-frame [ClPd(mu-dppm)(2)(mu-C=N-R)PdCl] (R = Ph (5a), xylyl (5b)), [ClPt(mu-dppm)(2)(mu-C=N-R)PtCl] (R = p-tolyl (4a); p-C(6)H(4)iPr (4b)), and the d(9)-d(9) M-2-bonded [ClPt(mu-dppm)(2)Pt(CN-R)]Cl (R = xylyl (3a); p-C(6)H(4)iPr (3b)) complexes. The heterodinuclear [XPd(mu-dppm)(2)PtX] complexes 6a (X=Cl) and 6b (X=1) react with RNC (R = o-anisyl) to form the A-frame [XPd(mu-dppm)(2)(mu-C=N-R)PtX] (X=Cl (9); I (10a)) and M-2-bonded [ClPt(mu-dppm)(2)Pt(CN-R)]Cl (10b) complexes. The dangling ligand-containing complex [ClPd(mu-dppm)(2)Pt(eta(1)-dppm=O)](BF4) (7) reacts with xylyl-NC stoichiometrically to produce the dicationic salt [(xylyl-NC)Pd(mu-dppm)(2)Pt(eta(1)-dppm=O)](BF4)(2) (8). Parameters ruling the coordination site terminal versus bridging are discussed. The precursor 10a reacts with RNC (R = o-anisyl, tBu) to form the heterobimetallic bis(isonitrile) [IPd(mu-dppm)(2)(mu-C=N-o-anisyl)Pt(CN-R)]l complexes 11b and 12, respectively, demonstrating the site selectivity of the second CNR ligand coordination, Pd versus Pt. The X-ray structures of 11b and 12 were obtained. Complex 12 is the first example of an A-frame system of the Ni-triad bearing two different isocyanide ligands. Several d(9)-d(9) terminal and d(8)-d(8) A-frame homo- and heterodinuclear complexes in 2-MeTHF at 77 K were studied by UV-vis and luminescence spectroscopy, Assignments for the lowest energy absorption and emission bands are made on the basis of density functional theory and time-dependent density functional theory computations.

  DOI：

  10.1021/ic8023315
• 作为产物：
  描述：

  [IPd(μ-bis(diphenylphosphino)methane)2PtI] 、 2-甲氧基苯甲腈 以 二氯甲烷 为溶剂， 以86%的产率得到[IPd(μ-dppm)2(μ-CN-C6H4-OMe)PtI]
  参考文献：
  名称：

  Properties of the [M(dppm)₂M′]²⁺ Building Blocks (M, M′ = Pd or Pt): Site Selectivity, Emission Features, and Frontier Orbital Analysis

  摘要：

  The homodinuclear [ClM(u-dppm)(2)MCl] complexes 1 (M = Pd) and 2 (M = Pt) react with RNC ligands (R = Ph, xylyl, p-tolyl, p-C(6)H(4)iPr) to provide the A-frame [ClPd(mu-dppm)(2)(mu-C=N-R)PdCl] (R = Ph (5a), xylyl (5b)), [ClPt(mu-dppm)(2)(mu-C=N-R)PtCl] (R = p-tolyl (4a); p-C(6)H(4)iPr (4b)), and the d(9)-d(9) M-2-bonded [ClPt(mu-dppm)(2)Pt(CN-R)]Cl (R = xylyl (3a); p-C(6)H(4)iPr (3b)) complexes. The heterodinuclear [XPd(mu-dppm)(2)PtX] complexes 6a (X=Cl) and 6b (X=1) react with RNC (R = o-anisyl) to form the A-frame [XPd(mu-dppm)(2)(mu-C=N-R)PtX] (X=Cl (9); I (10a)) and M-2-bonded [ClPt(mu-dppm)(2)Pt(CN-R)]Cl (10b) complexes. The dangling ligand-containing complex [ClPd(mu-dppm)(2)Pt(eta(1)-dppm=O)](BF4) (7) reacts with xylyl-NC stoichiometrically to produce the dicationic salt [(xylyl-NC)Pd(mu-dppm)(2)Pt(eta(1)-dppm=O)](BF4)(2) (8). Parameters ruling the coordination site terminal versus bridging are discussed. The precursor 10a reacts with RNC (R = o-anisyl, tBu) to form the heterobimetallic bis(isonitrile) [IPd(mu-dppm)(2)(mu-C=N-o-anisyl)Pt(CN-R)]l complexes 11b and 12, respectively, demonstrating the site selectivity of the second CNR ligand coordination, Pd versus Pt. The X-ray structures of 11b and 12 were obtained. Complex 12 is the first example of an A-frame system of the Ni-triad bearing two different isocyanide ligands. Several d(9)-d(9) terminal and d(8)-d(8) A-frame homo- and heterodinuclear complexes in 2-MeTHF at 77 K were studied by UV-vis and luminescence spectroscopy, Assignments for the lowest energy absorption and emission bands are made on the basis of density functional theory and time-dependent density functional theory computations.

  DOI：

  10.1021/ic8023315