[Pd(CH2-C6H4-P(o-tolyl)2-κC,P)(dimethyldithiocarbamate)HgI(μ-I)]2 | 199593-59-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Pd(CH2-C6H4-P(o-tolyl)2-κC,P)(dimethyldithiocarbamate)HgI(μ-I)]2
• CAS: 199593-59-4
• 化学式: C₄₈H₅₂Hg₂I₄N₂P₂Pd₂S₄
• 分子量: 1968.8
• InChiKey: WWIMVWRNCQJMHU-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  di-m-chloro-bis{2-(di-ortho-tolylphosphino)benzyl-C,P}dipalladium(II) 在 AgClO₄ 、 THF 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 生成 [Pd(CH2-C6H4-P(o-tolyl)2-κC,P)(dimethyldithiocarbamate)HgI(μ-I)]2
  参考文献：
  名称：

  Reactivity of [M(C∧P)(S₂C-R)] (M = Pd, Pt; C∧P = CH₂-C₆H₄-P(o-tolyl)₂-κC,P; R = NMe₂, OEt) toward HgX₂ (X = Br, I). X-ray Crystal Structures of [Pt{CH₂-C₆H₄P(o-tolyl)₂-κC,P}(S₂CNMe₂)HgI(μ-I)]₂ and [PdBr(S₂COEt){μ-P(o-tolyl)₂-C₆H₄-CH₂-}HgBr]·0.5HgBr₂·C₂H₄Cl₂

  摘要：

  The reaction of the complexes [Pt(C boolean AND P)(S2C-R)] (C boolean AND P = CH2-C6H4-P(o-tolyl)(2)-kappa C,P,R = NMe2, OEt) with an equimolar amount of HgX2 (X = Cl, Br) gives the tetranuclear derivatives [Pt(C boolean AND P)(S2C-R)HgX(mu-X)](2) [R = NMe2, X = Br (3), I (4); R = OEt, X = Br (5), I (6)] containing Pt-->Hg donor-acceptor bonds. The reaction of [Pd(C boolean AND P)(S2CNMe2)] with HgI2 affords the complex [Pd(C boolean AND P)(S2CNMe2)HgI(mu-I)](2) (9) similar to the complexes 3-6; by contrast the reaction of [Pd(C boolean AND P)(S2C-R)] (R = NMe2, OEt2) with HgBr2 leads to the corresponding dinuclear complexes [PdBr(S2C-R)(mu-C boolean AND P)HgBr] [R = NMe2 (10), OEt (11)] with the didentate C boolean AND P cyclometalating ligand, -CH2-C6H4-P(o-tolyl)(2)-C,P (resulting from the C-H activation of the P(o-tolyl)(3)) acting in an unprecedented bridging mode. Compound 4 (C24H26HgI2NPPtS2) crystallizes in the triclinic system, space group P (1) over bar: a = 9.5755(11) Angstrom, b = 11.1754(12) Angstrom, c = 14.501(2) Angstrom, alpha = 84.826(5)degrees, beta = 81.611(7)degrees, gamma = 68.606(9)degrees, V = 1428.5(3) Angstrom(3), and Z = 1. Compound 11.0.5 HgBr2 . C2H4Cl2 (C24H25Br2HgOPPdS2 . 0.5 HgBr2 . C2H4Cl2) crystallizes in the monoclinic system, space group P2(1)/c: a 15.571(2) Angstrom, b = 10.7425(10) Angstrom, c = 19.655(2) Angstrom, beta = 94.741(12)degrees, V = 3276.5(5) Angstrom(3), and Z = 4.

  DOI：

  10.1021/ic970584e