diisopropylammonium perchlorate | 860382-94-1

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: diisopropylammonium perchlorate
• 英文别名: Di(propan-2-yl)azanium;perchlorate
• CAS: 860382-94-1
• 化学式: C₆H₁₆N*ClO₄
• 分子量: 201.65
• InChiKey: CQUAMQGHXKKJRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.39
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  molybdophosphoric acid hydrate 、 diisopropylammonium perchlorate 在 methanol 作用下， 以 水 为溶剂， 生成 α-[iPr2NH2]4[HPMo12O40]*4H2O
  参考文献：
  名称：

  Photoreduction Processes ofα-Dodecamolybdophosphate in Aqueous Solutions: Electrical Conductivity,³¹P NMR, and Crystallographic Studies

  摘要：

  The photoreduction processes of α-[PMo12O40]3- (α-PMo12(0)) in aqueous solutions at pH 2.0 are discussed on the basis of the results of the electrical conductivities and 31P NMR spectra of photolytes, and the crystal structures of α-type two-electron and β-type four-electron reduction species isolated from photolytes as α-[(iPr)2NH2]4[HPMo12O40]·4H2O (1) (α-PMo12(II)) and β-[(iPr)2NH2]3[H4PMo12O40]·2H2O (2) (β-PMo12(IV)) : (i) A one-electron reduction species produced by the photoredox reaction of α-PMo12(0) with methanol is degraded to α-B-[H3PMo9O31(OH)3]3- (α-B-PMo9(0)) and MoV-containing Mo-triad species (Mo3). (ii) The formation of the α-type mono-protonated two-electron reduction species, α-[HPMo12O40]4- (α-PMo12(II)), results from the isomerization of the β-type two-electron reduction species, β-[PMo12O40]5- (β-PMo12(II)), which is produced by coupling between the one-electron reduced α-B-PMo9 (α-B-PMo9(I)) and Mo3. (iii) The β-type four-protonated four-electron reduction species, β-[H4PMo12O40]3- (β-PMo12(IV)) as a final product is produced by the disproportionation of α-PMo12(II). The change in the electrical conductivity of the photolytes during photolysis supports the above processes for the photoreduction of α-[PMo12O40]3- to β-[H4PMo12O40]3- at pH 2.0.

  DOI：

  10.1246/bcsj.73.641
• 作为产物：
  描述：

  二异丙胺 在 高氯酸 作用下， 生成 diisopropylammonium perchlorate
  参考文献：
  名称：

  Two reversible ferroelectric phase transitions in diisopropylammonium perchlorate

  摘要：

  在不适当的铁电体高氯酸二异丙基铵中发现了两个可逆的一阶相变，在加热过程中，晶体对称性在 296 K 时从 P21/c 转变为 P1，随后在 338 K 时又转变为 P21/c。

  DOI：

  10.1039/c5ra09971d

文献信息

• Above-room-temperature molecular ferroelectric and fast switchable dielectric of diisopropylammonium perchlorate
  作者：Kaige Gao、Minqiang Gu、Xiangbiao Qiu、X. N. Ying、Heng-Yun Ye、Yi Zhang、Jinglan Sun、Xiangjian Meng、F. M. Zhang、Di Wu、Hong-Ling Cai、X. S. Wu

  DOI：10.1039/c4tc01882f

  日期：——

  ferroelectrics due to weaker electron–electron and electron–phonon interactions in molecular ferroelectrics. Therefore, above-room-temperature molecular ferroelectrics are very rare which hinders their application in modern electronic fields. Here we report a new kind of above-room-temperature molecular ferroelectric, diisopropylammonium perchlorate (DIPAP), which combines fast switchable molecular dielectrics

  分子铁电体的转变温度通常低于无机铁电体的转变温度，这是由于分子铁电体中较弱的电子-电子和电子-声子相互作用。因此，在室温以上的分子铁电材料非常罕见，这阻碍了它们在现代电子领域中的应用。在这里，我们报告了一种新型的室温以上的分子铁电体，即高氯酸二异丙基铵（DIPAP），它结合了快速可切换的分子电介质。在加热过程中，铁电至顺电相变发生在约338 K，这通过结构分析得到了证实（从P 1到P 2 1 / c的空间群），差示扫描量热法（DSC），动态力学分析（DMA），介电常数，热电和拉曼光谱。从热电流和铁电磁滞回线测得的自发极化约为0.1μCcm -2，而根据第一原理的计算值高达20μCcm -2。这种大的理论自发极化值可以通过将分子结构设计和调制为完全极化的结构来实现。
• Involvement of hydrogen-bonding protons in delocalization of the paramagnetic electron in a single crystal of photoreduced decatungstate
  作者：Toshihiro Yamase

  DOI：10.1039/dt9870001597

  日期：——

  means of X-band e.s.r. spectroscopy at 77 K. The e.s.r. spectra show the superhyperfine interaction due to eight magnetically equivalent 1H atoms which are hydrogen-bonding water protons bonded to terminal oxygen atoms at eight equatorial WO6 sites. There is no observable 183W hyperfine interaction. The e.s.r. tensors are g1= 1.840 ± 0.001, g2= 1.838 ± 0.001, g3= 1.831 ± 0.001, AH1=(6.7 ± 0.1)× 10–4, AH2=(6

  [H 5 O 2 ] [NH 2 Pr i 2 ] 4- [W 10 O 32 ]·6H 2 O的重氢四（二异丙基铵）六水合钨酸六水合物已在单晶中研究，并被[H 5 O 2 ] 2- [NH 2 Pr i 2 ] 4 [W 10 O 32 ]·4H 2 O约为1 。1：1摩尔比，借助X谱仪在77 K处进行esr谱分析。esr谱图表明，由于八个磁当量1 H原子（与氢键合的水质子在八个赤道WO 6位处键合到末端氧原子上），从而产生了超超精细相互作用。没有可观察到的183 W超精细相互作用。esr张量为g 1 = 1.840±0.001，g 2 = 1.838±0.001，g 3 = 1.831±0.001，A H 1 =（6.7±0.1）×10 –4，A H2 =（6.2 + 0.1）×10 – 4和A H3 =（4.6±0.1）×10 –4cm –1，其中每个值都从钨-氧键的方向偏移。顺磁性电子轨道涉及H（1
• Effect of counter anions on ferroelectric properties of diisopropylammonium-cation based molecular crystals
  作者：Chunli Jiang、Wen-Yi Tong、Hechun Lin、Chunhua Luo、Hui Peng、Chun-Gang Duan

  DOI：10.1002/pssa.201700029

  日期：2017.6

  Diisopropylammonium cation based single crystals with different counter anions (F−, Cl−, Br−, I−, , and ) were prepared. Their crystal structures and ferroelectric properties were investigated by single‐crystal X‐ray diffraction spectroscopy, differential scanning calorimetry, and dielectric measurements. The experimental results illustrate that the ferroelectric properties of diisopropylammonium‐based single crystals are closely related to the electronegativity and structure of the counter anions. For monoatomic anions, higher electronegativity results in higher polarization and phase‐transition temperature of the corresponding molecular–ionic ferroelectrics. The results of density‐functional theory (DFT) calculations also support the experimental results.
• Structural Retention of Decatungstates upon Photoreduction
  作者：Yoh Sasaki、Toshihiro Yamase、Yuji Ohashi、Yoshio Sasada

  DOI：10.1246/bcsj.60.4285

  日期：1987.12

  The crystal structures of oxidized and photoreduced decatungstates are compared. Three specimens of decatungstate complexes were prepared in mixed solvents of H2O–CH3CN and were characterized by X-ray diffraction. Unit cell parameters are as follows: (C6H16N)4[W10O32]·2CH3CN; DECA Mr=2841.4, monoclinic, P21⁄n, a=14.617(2), b=17.783(3), c=11.755(2) Å, β=100.27(2)°, V=3006.5(9) Å3, Z=2; (C6H16N)4[H1.5W10O32]·8H2O; RED1 Mr=2905.4, monoclinic, P21⁄n, a=15.902(3), b=12.233(2), c=15.673(4) Å, β=93.76(2)°, V=3042(1), Å3  Z=2; Na4[H1.8W10O32]·14H2O; RED2 Mr=2696.7, monoclinic, C2⁄m, a=16.123(5), b=12.636(3), c=12.168(4) Å, β=117.40(2)°, V=2202(1) Å3, Z=2; There is no obvious change in the anion frame among the three decatungstate complexes. Photoreduced decatungstates may coordinate protons which neutralize excess charge injected into anions. It is concluded that the structure of W10O32 is not largely altered up to two-electron reduction.