deuterated ammonium tetrafluoroborate | 17569-37-8

• 英文名称: deuterated ammonium tetrafluoroborate
• CAS: 17569-37-8
• 化学式: BF₄*H₄N
• 分子量: 108.811
• InChiKey: PDTKOBRZPAIMRD-JBISRTOLSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.5
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  氟硼酸铵 在 ⁽²⁾H₂O 作用下， 以 重水 为溶剂， 生成 deuterated ammonium tetrafluoroborate
  参考文献：
  名称：

  氘化四氟硼酸铵 ND4BF4 从 7 K 到 348 K 的热容量

  摘要：

  摘要 采用绝热量热法测定了氘代四氟硼酸铵 ND4BF4 的热容量从 7 K 到 348 K。热容对温度的曲线是平滑的，在 120 K 和 165 K 之间有一个宽的最大值，Cp 中的峰值 m ≈ 14.9·R 出现在 145 K 到 155 K 之间。宽最大值的形状类似于在其他各向异性盐中发现，并且被认为是 ND4+ 离子旋转和晶胞比通常膨胀更大的贡献的结果。标准热力学量的值列在表中，最高可达 350 K。

  DOI：

  10.1016/0021-9614(90)90185-s

文献信息

• Ion Motion in Tetrafluoroborate Salts. I. NH₄BF₄and ND₄BF₄
  作者：A. P. Caron、D. J. Huettner、J. L. Ragle、L. Sherk、T. R. Stengle

  DOI：10.1063/1.1712272

  日期：1967.10.15

  Proton and fluorine NMR data in NH4BF4 and its totally deuterated analog reflect the presence of isotropic and rapid BF4− tumbling as well as onset of isotropic NH4+ ion motion in the orthorhombic phase. A linewidth transition in the 19F spin system from 19±1 G2 at 133°K to 2.5±0.5 G2 at 198°K and 19F thermal relaxation times measured in ND4BF4 from 210° to 478°K yield a span of 19F correlation times from 3×10−4 sec (168°K) to 6.4×10−11 sec (472°K). The transition to the cubic modification at 472°K decreases the 19F correlation time to 2.6×10−12 sec (478°K). Above 318°K, fluorine relaxation in NH4BF4 is dominated by intraionic dipolar interactions, while below this temperature cross relaxation with protons located on neighboring ammonium ions becomes evident. Deuteration removes this contributor to the 19F relaxation. The apparent activation energy for BF4− motion is slightly dependent upon temperature, and increases somewhat with increasing temperature. The pre-exponential factor associated with 19F correlation times above 318°K is abnormally small, possibly reflecting a decrease in the effective moment of inertia by mechanical coupling between BF4− motion and NH4+ motion. Crystallographic measurement of the orthorhombic unit cell parameters from 190° to 296°K shows rapid linear expansion of a and c axes in the range 190° to 260°K, with a marked decrease in the rate of variation of these axis lengths with temperature above 260°K. In the same temperature region a shallow proton T1 minimum is observed, which may be associated with the modification of NH4+ ion motion by lattice expansion or simply due to cross relaxation with the 19F spin system. Proton T1 data also show a shallow plateau at higher temperatures due to interionic dipolar coupling and the BF4− motion. The x-ray data suggest the possibility of a subtle crystallographic change at low temperatures. A small linewidth transition is observed for the proton spin system in the range 173°K (4.0±0.1 G2) to 223°K (2.9±0.1 G2) apparently associated with interionic dipolar coupling.
• Deuteron Magnetic Resonance Study of Several Deuterated Ammonium Salts
  作者：Takehiko Chiba

  DOI：10.1063/1.1732703

  日期：1962.3

  Deuteron magnetic resonance spectra were observed in ND4Cl, ND4Br, ND4ClO4, ND4BF4, ND4IO3, and (ND4)2SO4 in their powder form. Absorption patterns characteristic of the rapid reorientation of ND4+ ions were obtained. For the first four compounds, the absorption line consists of a sharp single line; for the remaining two it has structure which is due to small quadrupole coupling. For (ND4)2SO4, the angular dependence of the resonance pattern was measured with a single crystal specimen. The following values of the quadrupole coupling constant and asymmetry parameter were obtained: ND4IO3:  |eqQ|/h=3.9±0.3 kc,η=1.0−0.8,(ND4)2SO4:  |eqQ|/h=4.17±0.05 kc,η=1.0−0.95,and |eqQ|/h=2.00±0.05 kc,  η=1.0−0.8.The results of the experiment were discussed in relation to the crystal structure, crystalline field effect, and the deformation of ND4+ ion in the crystal. It was concluded that the observed quadrupole coupling for ammonium sulfate is mainly due to a direct effect of the distortion of the ammonium ion in the crystal rather than to the crystalline field effect. The observed asymmetry parameter for ammonium iodate did not agree with the reported crystal structure.
• Stephenson, C. C.; Orehotsky, R. S.; Smith, D., in: Schaefer, K., Thermodynamic Symposium, Heidelberg 1967,S. IV 2, 1 - 9
  作者：Stephenson, C. C.、Orehotsky, R. S.、Smith, D.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.10, 4.8.5.1.3, page 239 - 239
  作者：

  DOI：——

  日期：——