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Olejniczak, Anna
Adam Mickiewicz University in Poznań
in Cooperation with on an Cooperation-Score of 37%
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article
Pressure-induced solvate crystallization of 1,4-Diazabicyclo[2.2.2]octane perchlorate with methanol
Abstract
<p>1,4-Diazabicyclo[2.2.2]octane perchlorate, [C<sub>6</sub>H<sub>13</sub>N<sub>2</sub>]<sup>+</sup>ClO<sub>4</sub><sup>-</sup>, dabcoHClO<sub>4</sub>, the first NH<sup>+</sup>⋯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<sub>4</sub>crystallizes with two molecules of methanol to form solvate dabcoHClO<sub>4</sub>·2CH<sub>3</sub>OH. 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. © 2014 American Chemical Society.</p>