tetraaquaberyllium(II) | 21350-25-4

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱土金属有机物
• 英文名称: tetraaquaberyllium(II)
• 英文别名: beryllium dication (water)4；[Be(water)4](2+)；beryllium;tetrahydrate
• CAS: 21350-25-4
• 化学式: BeH₈O₄
• 分子量: 81.0733
• InChiKey: UKGHYAOTUDQKTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.68
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  4
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  beryllium(II) chloride 、 trisodium cyclo-tri-μ-imidotriphosphate trihydrate 、 水 在 NaCl 、 HCl 作用下， 以 水 为溶剂， 生成 tetraaquaberyllium(II) 、 [Be(H2O)3(cyclo-tri-μ-imidotriphosphate)](1-) 、 [Be2(H2O)6(cyclo-tri-μ-imidotriphosphate)](1+) 、 [Be(H2O)2(cyclo-tri-μ-imidotriphosphate)2](4-)
  参考文献：
  名称：

  9Be and 31P NMR analyses on Be2+ complexation with cyclo-tri-μ-imidotriphosphate anions in aqueous solution

  摘要：

  Microscopic information on the complexation of Be2+ with cyclo-tri-mu-imidotriphosphate anions in aqueous solution has been gained by both Be-9 and P-31 NMR techniques at -2.3 degrees C. Separate NMR signals corresponding to free and complexed species have been observed in both spectra. Based on an empirical additivity rule, i.e., proportionality observed between the Be-9 NMR chemical shift values and the number of coordinating atoms of ligand molecules, the Be-9 NMR spectra have been deconvoluted. By precise equilibrium analyses, the formation of [BeX(H2O)(3)](+) and [BeX2(H2O)(2)](0) (X = non-bridging oxygen donor as a coordination atom in the phosphate groups) has been verified, and the formation of complexes coordinating with the nitrogen atoms of the cyclic framework in the ligand molecule has been excluded. Instead, the formation of one-to-one (ML) complexes, one-to-two (ML2), together with two-to-one (M2L) complexes (L = cP(3)O(6)(NH)(3)) has been disclosed, the stability constants of which have been evaluated as log K-ML = 3.87 +/- 0.03 (mol dm(-3))(-1), log K-ML2 = 2.43 +/- 0.03 (mol dm(-3))(-2) and log K-M2L = 1.30 +/- 0.02 (mol dm(-3))(-2), respectively. P-31 NMR spectra measured concurrently have verified the formation of the complexes estimated by the Be-9 NMR measurement. Intrinsic P-31 NMR chemical shift values of the phosphorus atoms belonging to ligand molecules complexed with Be2+, together with the P-31-P-31 spin-spin coupling constants have been determined. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.12.034