Bis-(4-chlorphenyl)-thallium(III)-bromid | 29745-83-3

• 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: Bis-(4-chlorphenyl)-thallium(III)-bromid
• 英文别名: bis(4-chlorophenyl)thallium(III) bromide；Bromobis(4-chlorophenyl)thallium；bromo-bis(4-chlorophenyl)thallane
• CAS: 29745-83-3
• 化学式: C₁₂H₈BrCl₂Tl
• 分子量: 507.389
• InChiKey: PKXHXYQEILZMTE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  di-μ-sulphido-tetrakis(triphenylphosphine)-diplatinum(II) 、 四苯硼钠 、 Bis-(4-chlorphenyl)-thallium(III)-bromid 以 甲醇 为溶剂， 以72%的产率得到[Pt2(μ-S)2(PPh3)4Tl(C6H4Cl-p)2](BPh4)
  参考文献：
  名称：

  Thallium(III) complexes of the metalloligands [Pt2(μ-S)2(PPh3)4] and [Pt2(μ-Se)2(PPh3)4]

  摘要：

  Reactions of [Pt-2(mu-S)(2)(PPh3)(4)] with the diarylthallium(III) bromides Ar2TlBr [Ar = Ph and p-ClC6H4] in methanol gave good yields of the thallium(III) adducts [Pt-2(mu-S)(2)(PPh3)(4)TlAr2](+), isolated as their BPh4- salts. The corresponding selenide complex [Pt-2(mu-Se)(2)(PPh3)(4)TlPh2]BPh4 was similarly synthesised from [Pt-2(mu-Se)(2)(PPh3)(4)], Ph2TlBr and NaBPh4. The reaction of [Pt-2(mu-S)(2)(PPh3)(4)] with PhTlBr2 gave [Pt-2(mu-S)(2)(PPh3)(4)TlBrPh](+), while reaction with TlBr3 gave the dibromothallium(III) adduct [Pt-2(mu-S)(2)(PPh3)(4)TlBr2](+)[TlBr4](-). The latter complex is a rare example of a thallium(III) dihalide complex stabilised solely by sulfur donor ligands. X-ray crystal structure determinations on the complexes [Pt-2(mu-S)(2)(PPh3)(4)TlPh2]BPh4, [Pt-2(mu-S)(2)(PPh3)(4)TlBrPh]BPh4 and [Pt-2(mu-S)(2)(PPh3)(4)TlBr2][TlBr4] reveal a greater interaction between the thallium(III) centre and the two sulfide ligands on stepwise replacement of Ph by Br, as indicated by shorter Tl-S and Pt center dot center dot center dot Tl distances, and an increasing S-Tl-S bond angle. Investigations of the ESI MS fragmentation behaviour of the thallium(III) complexes are reported. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.045
• 作为产物：
  描述：

  thallium(I) bromide 、 4-氯苯硼酸 、 溴 以 水 为溶剂， 以66%的产率得到Bis-(4-chlorphenyl)-thallium(III)-bromid
  参考文献：
  名称：

  Thallium(III) complexes of the metalloligands [Pt2(μ-S)2(PPh3)4] and [Pt2(μ-Se)2(PPh3)4]

  摘要：

  Reactions of [Pt-2(mu-S)(2)(PPh3)(4)] with the diarylthallium(III) bromides Ar2TlBr [Ar = Ph and p-ClC6H4] in methanol gave good yields of the thallium(III) adducts [Pt-2(mu-S)(2)(PPh3)(4)TlAr2](+), isolated as their BPh4- salts. The corresponding selenide complex [Pt-2(mu-Se)(2)(PPh3)(4)TlPh2]BPh4 was similarly synthesised from [Pt-2(mu-Se)(2)(PPh3)(4)], Ph2TlBr and NaBPh4. The reaction of [Pt-2(mu-S)(2)(PPh3)(4)] with PhTlBr2 gave [Pt-2(mu-S)(2)(PPh3)(4)TlBrPh](+), while reaction with TlBr3 gave the dibromothallium(III) adduct [Pt-2(mu-S)(2)(PPh3)(4)TlBr2](+)[TlBr4](-). The latter complex is a rare example of a thallium(III) dihalide complex stabilised solely by sulfur donor ligands. X-ray crystal structure determinations on the complexes [Pt-2(mu-S)(2)(PPh3)(4)TlPh2]BPh4, [Pt-2(mu-S)(2)(PPh3)(4)TlBrPh]BPh4 and [Pt-2(mu-S)(2)(PPh3)(4)TlBr2][TlBr4] reveal a greater interaction between the thallium(III) centre and the two sulfide ligands on stepwise replacement of Ph by Br, as indicated by shorter Tl-S and Pt center dot center dot center dot Tl distances, and an increasing S-Tl-S bond angle. Investigations of the ESI MS fragmentation behaviour of the thallium(III) complexes are reported. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.045