Gdtrenovan | 221130-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Gdtrenovan
• 英文别名: 2-[2-[bis[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-6-methoxyphenolate;gadolinium(3+)
• CAS: 221130-60-5
• 化学式: C₃₀H₃₃N₄O₆*Gd
• 分子量: 702.865
• InChiKey: HZOVMSGOUBLLNC-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  41
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  邻香草醛 、 gadolinium(III) nitrate hexahydrate 、 Gdtrenovan 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 [tri-(3-methoxysalicylaldehydato)di-μ3-hydroxotetraaquo-1kO,2kO,3k(2)O-di-(η2-nitrato)trigadolimium(3+)] dinitrato tetrahydrate
  参考文献：
  名称：

  三核g配合物：结构和磁性。

  摘要：

  A genuine and original trinuclear gadolinium complex in which the three Gd centers are linked by three different phenolato or hydroxo bridges presents an antiferromagnetic interaction of 0.19cm(-1). This J value is among the largest ones found for interacting Gd centers.

  DOI：

  10.1021/ic0103704

文献信息

• Use of 155Gd, 151Eu, 166Er Mössbauer spectroscopy to characterize heterodinuclear Ln–Ln′ complexes
  作者：Jean-Pierre Costes、Franck Nicodème、Takanari Ayabe、Masuo Takeda、Masashi Takahashi

  DOI：10.1016/j.poly.2019.114154

  日期：2019.12

  Use of Gd-155 Mifissbauer spectroscopy allows a straightforward characterization of heterodinuclear Ln-Ln' complexes (LLnLn' (NO3)(3)center dot(H2O)(2)) with a tripodal ligand L, possessing two different N4O3 and O3O3 coordination sites. Thanks to the isomer shift value, the location of the Gd-III ion is confirmed; the Gd atom in the Gd-Ln' series (Ln' = Ce, Nd, Eu) occupies the inner N4O3 site with a eight-coordination (N4O3 + O), but on the other hand the Gd atom in the Ln-Gd series (Ln = Dy, Er, Yb) resides in the outer O3O3 site with a ten-coordination (O3O3 + O-2 + O-2). The smaller isomer shift values for the former indicate that coordination of the basic nitrogen atoms enhances the 6s orbital population. With the help of Eu-151 Mossbauer spectroscopy, we demonstrate that the Gd-Eu entity is a genuine heterodinuclear complex, in which the Gd-III ion is located in the inner site and the Eu-III ion in the outer oxygenated site. This result highlights the feasibility of our synthetic process described earlier to introduce in a heterodinuclear complex two consecutive ions of the periodic table. And the slow paramagnetic relaxation observed in the Er-166 Mossbaner spectrum of the Er-Gd complex confirms presence of a magnetic interaction in the genuine Er-Gd complex. (C) 2019 Elsevier Ltd. All rights reserved.