氢氟化胍 | 38078-70-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 氢氟化胍
• 英文名称: guanidinium fluoride
• 英文别名: guanidine hydrofluoride；Guanidin; Hydrofluorid；Guanidinium-fluorid；Guanidinium fluoride；diaminomethylideneazanium;fluoride
• CAS: 38078-70-5
• 化学式: CH₆N₃*F
• 分子量: 79.0771
• InChiKey: ZPQINZAVTLGLIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.01
• 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：
  75.9
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  hexafluorozirconic acid 、 氢氟化胍 以 水 为溶剂， 生成 guanidinium hydroxonium pentafluorozirconate
  参考文献：
  名称：

  Gerasimenko; Bukvetskii; Logvinova, Russian Journal of Coordination Chemistry, 1996, vol. 22, # 8, p. 550 - 555

  摘要：

  DOI：
• 作为产物：
  描述：

  盐酸胍 在 silver fluoride 作用下， 生成 氢氟化胍
  参考文献：
  名称：

  汞-水界面的硝酸胍的二维缩合

  摘要：

  Guanidinium cations can form a condensed interfacial monolayer with nitrate anions, in which the two ions participate in a one-to-one ratio. The earlier results of Dyatkina et al. (Elektrokhimiya 1980, 16, 996) have been confirmed and extended. The formation of the monolayer film is controlled by the kinetics of nucleation and two-dimensional growth. Most likely, the film is held together by multiple hydrogen bonds between the nitrate oxygens and the amine hydrogens of the guanidinium ions, in an interfacial organization similar to that in the layered crystal structure reported here.

  DOI：

  10.1021/j100141a037

文献信息

• Guanidinium Fluorooxoborates as Efficient Metal-free Short-Wavelength Nonlinear Optical Crystals
  作者：Congcong Jin、Hao Zeng、Feng Zhang、Haotian Qiu、Zhihua Yang、Miriding Mutailipu、Shilie Pan

  DOI：10.1021/acs.chemmater.1c03974

  日期：2022.1.11

  Metal-free borates have emerged as a new class of solid-state chemistry and related crystalline materials with high performance. However, the discovery of metal-free borate crystals that can meet the phase-matching behavior in the short-wavelength ultraviolet (UV) spectral region is extremely limited. Against this background, two new guanidinium fluorooxoborates with the chemical formula of [C(NH2)3][B3O3F2(OH)2] and [C(NH2)3]2[B3O3F4(OH)] have been discovered and characterized as high-performance candidates for short-wavelength UV nonlinear optical (NLO) applications. The optimally aligned configuration of coplanar [C(NH2)3] cations and [B3O3F2(OH)2]/[B3O3F4(OH)] heteroanionic units makes both crystals have a sufficiently large NLO coefficient, birefringence, and band gap, which indicate that both metal-free hydroxyfluorooxoborates are promising NLO crystals. The well-ordered configurations of OH/F anions in two borates were identified using various approaches, and the origin of high optical performance was validated by additional measurements and calculations. Our findings verified the feasibility of searching NLO crystals in the short-wavelength region in a metal-free borate system via an eco-friendly and low-cost way.

  无金属硼酸盐已成为固态化学和相关晶体材料中的一类新型高性能材料。然而，能在短波紫外（UV）光谱区满足相匹配行为的无金属硼酸盐晶体的发现却极为有限。在此背景下，我们发现并表征了两种化学式分别为 [C(NH2)3][B3O3F2(OH)2] 和 [C(NH2)3]2[B3O3F4(OH)] 的新型胍基氟氧硼酸盐，它们是短波紫外非线性光学（NLO）应用的高性能候选物质。共面[C(NH2)3]阳离子和[B3O3F2(OH)2]/[B3O3F4(OH)]杂阴离子单元的最佳排列构型使这两种晶体都具有足够大的 NLO 系数、双折射和带隙，这表明这两种无金属羟氟氧硼烷都是很有前景的 NLO 晶体。我们采用多种方法确定了两种硼酸盐中 OH/F 阴离子的有序构型，并通过额外的测量和计算验证了高光学性能的来源。我们的研究结果验证了在无金属硼酸盐体系中以环保和低成本的方式寻找短波长区域 NLO 晶体的可行性。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.8, 4, page 152 - 228
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• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: PerFHalOrg.9, 5, page 1 - 38
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  日期：——
• Marinier, B.; Boivin, J. L., Canadian Journal of Chemistry, 1964, vol. 42, p. 1759 - 1760
  作者：Marinier, B.、Boivin, J. L.

  DOI：——

  日期：——
• SU266758
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