| 1193751-94-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• CAS: 1193751-94-8
• 化学式: C₄₉H₆₄N₂NiO₆
• 分子量: 835.747
• InChiKey: VPRPWCNLONEJBO-FCAIGXEMSA-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：

  N-salicylidene-4,5-(didodecyloxy)phenylene-1,2-diamine 、 、 zinc(II) acetate dihydrate 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 以91%的产率得到
  参考文献：
  名称：

  Twin Salphen: Asymmetric Heterodinuclear Complexes {M_aM_bL | M_a, M_b = Ni, Cu, Zn} of a Symmetrically Fused Salphen Ligand

  摘要：

  Heterodinuclear complexes of a fully pi-conjugated salphen ligand were efficiently synthesized with arbitrary combinations of Ni-II, Cu-II, and Zn-II. The UV-vis spectra of the heterodinuclear complexes were approximately represented by a simple average of the spectra of the corresponding homodinuclear complexes. Systematic analysis of the spectra highlighted weak intracomplex interactions through the pi-conjugated system of the ligand.

  DOI：

  10.1021/ic901937p
• 作为产物：
  描述：

  nickel(II) acetate tetrahydrate 、 N-salicylidene-4,5-(didodecyloxy)phenylene-1,2-diamine 、 2,6-二醛基-1,5-二羟基萘 以 四氢呋喃 、 甲醇 为溶剂， 以84%的产率得到
  参考文献：
  名称：

  Twin Salphen: Asymmetric Heterodinuclear Complexes {M_aM_bL | M_a, M_b = Ni, Cu, Zn} of a Symmetrically Fused Salphen Ligand

  摘要：

  Heterodinuclear complexes of a fully pi-conjugated salphen ligand were efficiently synthesized with arbitrary combinations of Ni-II, Cu-II, and Zn-II. The UV-vis spectra of the heterodinuclear complexes were approximately represented by a simple average of the spectra of the corresponding homodinuclear complexes. Systematic analysis of the spectra highlighted weak intracomplex interactions through the pi-conjugated system of the ligand.

  DOI：

  10.1021/ic901937p

文献信息

• Comparison of the Spectroscopic Properties of π-Conjugated, Fused Salphen Triads Embedded with Zn-Homo-, Ni-Homo-, and Ni/Zn-Heteronuclei
  作者：Hirohiko Houjou、Muneyuki Ito、Koji Araki

  DOI：10.1021/ic200798d

  日期：2011.6.6

  Stepwise condensation reactions of 2,6-dihydroxynaphthalene-1,5-dicarbaldehyde and a phenylenediamine with concomitant binding of metal ions afforded a trinuclear complex of a fully pi-conjugated, fused salphen ligand. By changing the synthetic pathway, we obtained a series of homo- and heteronuclear complexes containing selected combinations of nickel(II) and zinc(II) ions. Comparison of the trinuclear complexes' spectroscopic features with those of analogous dinuclear complexes revealed that the absorption spectrum of each trinuclear complex is composed of a salphen-centered absorption at 400 nm and a naphthalene-centered absorption around 500-600 nm, suggesting that the pi-conjugated system is divided into several compartments, each of which independently undergoes electronic excitation. Molecular orbital calculations revealed that the formal fusion of the salphen moieties increases the highest occupied molecular orbital (HOMO) level by similar to-0.4 eV, which in turn causes the low-energy absorption observed in the spectra. In contrast, interorbital interactions mediated by the N2O2 metal coordination site are small, even though this site is bridged by an o-phenylene linkage: These results suggest that the coordination site effectively breaks electronic communication between the compartments, which in turn affect various spectroscopic properties of the pi-conjugated metallo-polysalphens.