Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol

Michalina Anio?a; Anna Olejniczak; Andrzej Katrusiak

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Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol

机译：1,4-二氮杂双环[2.2.2]辛烷高氯酸盐与甲醇的压力诱导溶剂化结晶

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摘要

1,4-Diazabicyclo[2.2.2]octane perchlorate, [C_6H_(13)N_2]~+Cl_O4~?, dabcoHClO_4, the first NH~+···N hydrogen-bonded ferroelectric, exhibits at least ten unsolvated polymorphs, depending on temperature and pressure. When crystallized from the methanol solution above 2 GPa, dabcoHClO_4 crystallizes with two molecules of methanol to form solvate dabcoHClO_4· 2CH_3OH. This solvate structure has been determined by single-crystal X-ray diffraction up to 3 GPa. High pressure transforms the H-bonding pattern and the hierarchy of different cohesion forces. The solvate formation is additionally favored by its molecular volume lower than the sum of the molar equivalents of unsolvated components.

机译：1,4-二氮杂双环[2.2.2]辛烷高氯酸盐，[C_6H_（13）N_2]〜+ Cl_O4〜？，dabcoHClO_4，第一个NH〜+··N氢键合铁电体，表现出至少十个未溶剂化的多晶型，具体取决于温度和压力。当从高于2 GPa的甲醇溶液中结晶时，dabcoHClO_4与两个甲醇分子一起结晶，形成溶剂化物dabcoHClO_4·2CH_3OH。该溶剂化物结构已经通过高达3 GPa的单晶X射线衍射确定。高压改变了H键的模式和不同内聚力的层次。另外，由于其分子体积小于未溶剂化组分的摩尔当量之和，因此有利于形成溶剂化物。

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《Crystal growth & design》 |2014年第5期|共5页
作者
Michalina Anio?a; Anna Olejniczak; Andrzej Katrusiak;
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正文语种 eng
中图分类晶体学;
关键词
temperature; equivalents; unsolvated;

机译：温度;当量;未溶剂化;

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1. Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol [J] . Michalina Anio?a, Anna Olejniczak, Andrzej Katrusiak Crystal growth & design . 2014,第5期

机译：1,4-二氮杂双环[2.2.2]辛烷高氯酸盐与甲醇的压力诱导溶剂化结晶
2. High pressure used for producing a new solvate of 1,4-diazabicyclo[2.2.2]octane hydroiodide [J] . Olejniczak A., Podsiadlo M., Katrusiak A. New Journal of Chemistry . 2016,第3期

机译：高压用于生产新的1,4-二氮杂双环[2.2.2]辛烷氢碘化物的溶剂化物
3. Pressure-induced hydration of 1,4-diazabicyclo[2.2.2]octane hydroiodide (dabcoHI) [J] . Olejniczak A., Katrusiak A. Crystal growth & design . 2011,第6期

机译：1,4-二氮杂双环[2.2.2]辛烷氢碘化物（dabcoHI）的压力诱导水合作用
4. Preparation and Characterization of Dabco (1,4-Diazabicyclo 2.2.2octane) modified bentonite: Application for Congo red removal [C] . Tarmizi Taher, Dedi Rohendi, Risfidian Mohadi International Conference on Chemistry and Material Science . 2018

机译：DABCO的制备和表征（1,4-二氮杂双环2.2.2辛烷值）改性膨润土：刚果红色去除的应用
5. Pentafluoroethyl Derivatives of Sulfur(IV) Fluorides and the SF4-Diazabicyclo[2.2.2]Octane Lewis-Acid-Base System [D] . Kostiuk, Nathan. 2018

机译：氟化硫（IV）的五氟乙基衍生物和SF4-二氮杂双环[2.2.2]辛烷路易斯酸基系统
6. Sulfonylation of 14‐Diazabicyclo2.2.2octane: Charge‐Transfer Complex Triggered C−N Bond Cleavage [O] . Dr. Ying Fu, Qin‐Shan Xu, Quan‐Zhou Li, 2019

机译：14-二氮杂双环2.2.2辛烷的磺酰化：电荷转移复合物引发的CN键断裂
7. Crystal structures of 1,4-diazabicyclo[2.2.2]octan-1-ium 4-nitrobenzoate dihydrate and 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(4-nitrobenzoate): the influence of solvent upon the stoichiometry of the formed salt [O] . Aina Mardia Akhmad Aznan, Zanariah Abdullah, Edward R. T. Tiekink 2014

机译：1,4-二氮杂双环[2.2.2]辛-1-鎓4-硝基苯甲酸二水合物和1,4-二氮杂双环[2.2.2]辛烷-1,4-二（4-硝基苯甲酸）的晶体结构：影响溶剂在形成的盐的化学计量比
8. Surface-Enhanced Raman Scattering of the Protonated Forms of 1,4-Diazabicyclo(2.2.2)Octane at a Silver Electrode. [R] . Guzonas, D. A., Irish, D. E., Atkinson, G. F. 1989

机译：质子化形式的1,4-二氮杂双环（2.2.2）辛烷在银电极上的表面增强拉曼散射。

Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol

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