(C5Me5)2Yb(2,2':6',2''-terpyridine) | 663152-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (C5Me5)2Yb(2,2':6',2''-terpyridine)
• 英文别名: (C5Me5)2Yb(terpyridine)；((η5-C5Me5)2Yb)2(2,2':6':2''-terpyridine(1-))；Cp*2Yb(tpy)；Cp*2Yb(2,2':6',2''-terpyridine)；2,6-dipyridin-2-ylpyridine;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ytterbium(2+)
• CAS: 663152-10-1
• 化学式: C₃₅H₄₁N₃Yb
• 分子量: 676.771
• InChiKey: MSMKMTLJLBRJOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  39
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ferrocenium hexafluorophosphate 、 (C5Me5)2Yb(2,2':6',2''-terpyridine) 以 四氢呋喃 为溶剂， 以73%的产率得到[Cp*2Yb(III)(tpy)][PF6]
  参考文献：
  名称：

  Ligand Substituent Effect Observed for Ytterbocene 4‘-Cyano-2,2‘:6‘,2‘ ‘-terpyridine

  摘要：

  A new N-heterocyclic complex of ytterbocene (Cp*Yb-2(II), CP* = C5Me5) has been prepared by the addition of 4'-cyano-2,2':6',2"-terpyridine (tpyCN) to CP*Yb-2(II)(OEt2) in toluene to give a dark blue species designated as CP*Yb-2(tpyCN). The effect of the electron-withdrawing group (-C equivalent to N) on the redox potentials of the charge-transfer form of this complex [in which an electron is transferred from the f(14) metal center to the lowest unoccupied (pi*) molecular orbital of the tpyCN ligand to give a 4f(13)-pi*(1) electronic configuration] has been quantified by cyclic voltammetry. The tpyCN ligand stabilizes this configuration by 60 mV more than that in the unsubstituted tpy ligand complex and by 110 mV more than that in the unsubstituted bpy ligand complex. Magnetic susceptibility measurements corroborate the enhanced stabilization of the 4f(13)-pi*(1) configuration by the substituted terpyridyl ligand complex. Furthermore, the temperature dependence of the magnetic data is most consistent with a thermally induced valence tautomeric equilibrium between this paramagnetic 4f(13)-pi*(1) form that dominates near room temperature and the diamagnetic 4f(14)-pi*(0) form that dominates at low temperature. Differing coordination modes for the tpyCN ligand to the ytterbocene center have also been confirmed by isolation and X-ray crystallographic characterization of complexes binding through either the cyano nitrogen of tpyCN or the three terpyridyl nitrogen atoms of tpyCN.

  DOI：

  10.1021/ic050148p
• 作为产物：
  描述：

  α,α,α-三联吡啶 、 bis(pentamethylcyclopentadienyl)ytterbium(diethyl ether) 以 甲苯 为溶剂， 生成 (C5Me5)2Yb(2,2':6',2''-terpyridine)
  参考文献：
  名称：

  迈向混合价的新范式：萜烯-吡啶吡啶电荷转移复合物。

  摘要：

  （C5Me5）2Yb x OEt2与叔吡啶和四吡啶基吡嗪反应生成新的混合价系统。

  DOI：

  10.1039/b306484k

文献信息

• Ytterbocene Charge-Transfer Molecular Wire Complexes
  作者：Christin N. Carlson、Christopher J. Kuehl、Ryan E. Da Re、Jacqueline M. Veauthier、Eric J. Schelter、Ashley E. Milligan、Brian L. Scott、Eric D. Bauer、J. D. Thompson、David E. Morris、Kevin D. John

  DOI：10.1021/ja058667e

  日期：2006.6.1

  [(f)13-(pi)2-(f)13], cationic [(f)13-(pi)1-(f)13] and dicationic [(f)13-(pi)0-(f)13] states of these complexes were studied by cyclic voltammetry, UV-vis-NIR electronic absorption spectroscopy, NMR, X-ray crystallography, and magnetic susceptibility measurements. The spectroscopic and magnetic data for the neutral bimetallic complexes is consistent with an [(f)13(pi)2(f)13] ground-state electronic configuration in which

  对 2:1 金属中发现的新型电荷转移 [(f)14-(pi)0-(f)14 --> (f)13-(pi)2-(f)13] 电子态的系统研究[(Cp)2Yb](BL)[Yb(Cp)2] [BL = tetra(2-pyridyl)pyrazine (tppz) (1), 6',6''-bis( 2-吡啶基)-2,2':4',4'':2'',2'''-四联吡啶 (qtp) (2), 1,4-二(三联吡啶)-苯 (dtb) (3) , Cp = (C5Me5)] 的目的是确定增加 Yb-Yb 分离对这些材料的磁性和电子特性的影响。中性 [(f)13-(pi)2-(f)13]、阳离子 [(f)13-(pi)1-(f)13] 和双阳离子 [(f)13-(pi)0-( f) 13] 这些配合物的状态通过循环伏安法、紫外-可见-近红外电子吸收光谱、核磁共振、X 射线晶体学和磁化率测量进行了研究。中性双金属配合物的光谱和磁学数据与