[Zn(1,10-phenanthroline)(C6H5C(S)NP(O)(O-iPr)2)2] | 1041860-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Zn(1,10-phenanthroline)(C6H5C(S)NP(O)(O-iPr)2)2]
• 英文别名: [Zn(1,10-phenanthroline)(PhC(S)NP(O)(O-i-Pr)2)2]；[Zn(phen)(PhC(S)NP(O)(OPr)2)2]；[Zn(phen)(PhC(S)NP(O)(OiPr)2)2]
• CAS: 1041860-34-7
• 化学式: C₃₈H₄₆N₄O₆P₂S₂Zn
• 分子量: 846.276
• InChiKey: IBEWICPGQJRBOM-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：

  二氯甲烷 、 [Zn(1,10-phenanthroline)(C6H5C(S)NP(O)(O-iPr)2)2] 以 二氯甲烷 为溶剂， 以98%的产率得到[Zn(1,10-phenanthroline)(PhC(S)NP(O)(OiPr)2)Cl]
  参考文献：
  名称：

  C–Cl bond cleavage of CH2Cl2 by the zinc(II) complex [Zn(phen)L2] with the formation of [Zn(phen)LCl] and CH2[PhC(S)NP(O)(OiPr)2]2

  摘要：

  The reaction of [Zn(phen)L-2] (L = PhC(S)NP(O)(OiPr)(2)(-)) with CH2Cl2 leads to the formation of complex [Zn(phen)LCl] and S,S'-bis(benzimidothio-N-diisopropoxyphosphoryl)methane L-CH2-L in high yields. Using CHCl3 or CCl4 instead of CH2Cl2 does not lead to the formation of chlorine substituted products even under reflux conditions. Compounds obtained were investigated by H-1 and P-31{H-1} NMR spectroscopy, and microanalysis. The crystal structure of [Zn(phen)LCl] was elucidated by X-ray diffraction. The Zn(II) atom in the complex is in a distorted tetragonal-pyramidal ClN2OS environment. The structure is stabilized by the intermolecular hydrogen bonds of the type C-H center dot center dot center dot Cl-Zn and pi center dot center dot center dot pi stacking interactions between the phenanthroline rings. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.07.019
• 作为产物：
  描述：

  1,10-菲罗啉 、 [Zn(N-(diisopropoxyphosphoryl)thiobenzamide-H)2] 以 苯 为溶剂， 以82%的产率得到[Zn(1,10-phenanthroline)(C6H5C(S)NP(O)(O-iPr)2)2]
  参考文献：
  名称：

  Studies on zinc(II) complexes with N-thioacylamidophosphates: X-ray crystal structure of the [Zn(RC(S)NP(O)(OiPr)2)2] (R = NH2, tBuNH, c-C6H11NH)

  摘要：

  The photoluminescent properties of 17 zinc(II) chelates [Zn(RC(S)NP(C)(OiPr)(2)-0,S)(2)] (R = Ph (1a), PhNH (1b), p-BrPh (1c), p-MeCC6H4NH (1d), p-BrC6H4NH (le), NH2 (1f), iPrNH (1g), tBuNH (1h), Et2N (1i), c-C5H10N (1j), c-OC4HgN (1k), c-C6H11NH (1I), aminobenzo-15-crown-5 (1m)) and [Zn(B) (RC(S)NP(O)(OiPr)(2)-O,S)(2)](R=Ph, B=2,2'-bipyridine (2a); R=Ph, B=1,10-phenanthroline (2b); R = PhNH, B = 2,2'-bipyridine (2c); R = PhNH, B = 1,10-phenanthroline (2d)), are reported. Colorless and air/moisture stable chelate complexes of divalent zinc show blue emission in the solid state when excited with UV light. Complexes If, 1h, 1I were investigated by single crystal X-ray diffraction. The zinc(II) atom in complexes If, 1h, 1I is in a distorted tetrahedral O2S2 environment formed by the C=S sulphur atoms and the P=O oxygen atoms of two deprotonated ligands. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.03.005

文献信息

• Studies on Zn(II) and Cd(II) heteroligand complexes with RC(S)NHP(O)(OiPr)2 (R=Ph, NH2, PhNH) and α-diimine (bpy and phen) ligands. C–Cl bond cleavage of CH2Cl2 by [Zn(phen){PhC(S)NP(O)(OiPr)2}2]
  作者：Damir A. Safin、Maria G. Babashkina、Michael Bolte、Dmitriy B. Krivolapov、Maxim L. Verizhnikov、Airat R. Bashirov、Axel Klein

  DOI：10.1016/j.ica.2010.10.001

  日期：2011.1

  The reaction of [ZnL2I,II] (L-I = [NH2C(S)NP(O)(OiPr)(2)] ; L-II = [PhNHC(S)NP(O)(OiPr)(2)] ) or [Cd2L4IV] (L-IV = [PhC(S)NP(O)(OiPr)(2)] ) with 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) leads to the heteroligand complexes [Zn(bpy)L-2(I,II)], [Zn(phen)L-2(I,II)], [Cd(bpy)L-2(IV)] or [Cd(phen)L-2(IV)], respectively. The introduction of the diimine ligands into the coordination sphere of the metal cation provokes a change from 1,5-O,S- to 1,3-N,S-coordination of the anionic ligands for Zn but not for the Cd species. The reaction of [Zn(phen)L-2(IV)] (L-IV = PhC(S)NP(O)(OiPr)(2) ) with CH2Cl2 cleaves the chlorine atoms from CH2Cl2 and leads to the formation of [Zn(phen)(LCl)-Cl-IV] and S, S'-bis(benzimidothio-N-diisopropoxyphosphoryl)methane (L-IV-CH2-L-IV) in high yields. Using CHCl3 or CCl4 instead of CH2Cl2 does not lead to the formation of chlorine substituted products even under reflux conditions. The new compounds were investigated by H-1 and P-31H-1} NMR, IR spectroscopy and microanalysis. Crystal structures of [ZnL2II], [Cd(phen)-L-2(IV)]center dot CH2Cl2, [Zn(bpy)L-2(I)] and [Zn(phen)(LCl)-Cl-IV] were elucidated by X-ray diffraction. (C) 2010 Elsevier B.V. All rights reserved.