trans-bis(2-hydroxyiminoacetato-N,O)diaquazinc(II) | 835873-92-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trans-bis(2-hydroxyiminoacetato-N,O)diaquazinc(II)
• 英文别名: diaquabis[(hydroxyimino)acetato]zinc(II)
• CAS: 835873-92-2
• 化学式: C₄H₈N₂O₈Zn
• 分子量: 277.506
• InChiKey: FMTJETUDTZUOOQ-AIZKVZLISA-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：
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• 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：

  trans-bis(2-hydroxyiminoacetato-N,O)diaquazinc(II) 以 neat (no solvent) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Towards new precursors for ZnO thin films by single source CVD: the X-ray structures and precursor properties of zinc ketoacidoximates

  摘要：

  Zinc complexes of pyruvic and glyoxylic acid oximes have been investigated as potential precursors for single source chemical vapour deposition (SSCVD) of ZnO thin films. The X-ray crystal structures of the complexes and of their NOW analogues reveal markedly different coordination and intermolecular bonding patterns. These structural differences, in conjunction with ligand substituent changes impart different responses to thermogravimetric analysis (TGA), and sublimation. The glyoxylic acid methyloxime Zn(O2CCHN(OMe))(2) . 2H(2)O has volatility and thermolysis properties suitable for SSCVD of ZnO. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.07.022
• 作为产物：
  描述：

  hydroxyiminoacetic acid 、 zinc(II) acetate dihydrate 以 水 为溶剂， 以33%的产率得到trans-bis(2-hydroxyiminoacetato-N,O)diaquazinc(II)
  参考文献：
  名称：

  Spectroscopic and theoretical study of Cu(II), Zn(II), Ni(II), Co(II) and Cd(II) complexes of glyoxilic acid oxime

  摘要：

  The paper presents a detailed experimental and theoretical study of five metal complexes of glyoxilic acid oxime (gaoH(2)), Cu(gaoH)(2)(H2O)(2) (1), Zn(gaoH)(2)(H2O)(2) (2), Co(gaoH)(2)(H2O)(2) (3), Ni(gaoH)(2)(H2O)(2) (4) and [Cd(gaoH)(2)(H2O)(2)]center dot H2O (5). The electronic and vibrational spectra were measured and discussed as to the most sensitive to the M-L binding bands. Two different types of coordination were considered for gaoH(-) ligand: bidentate through the carboxylic oxygen and oxime nitrogen in 1-4 and mixed bidentate and bridging through the COO group in 5. It is shown that the spectral behavior of the v(COO) modes can be used to predict bridging ligand coordination. DFT(B3LYP/6-31++G(d,p)) calculations on model compounds: neutral, anionic and radical forms of gao and Cu(gaoH)(2), have been carried out to correlate geometries, electronic and vibrational structures. The results obtained were used to assist the electronic and vibrational analysis of the complexes studied. The effect of the metal-ligand interactions (electrostatic and covalent) on the geometry structure of the ligand was investigated. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2005.05.027