期刊
JOURNAL OF MOLECULAR LIQUIDS
卷 323, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molliq.2020.114630
关键词
Carbamazepine; Supercritical carbon dioxide; Polymorphism; Conformational equilibrium
资金
- Ministry of Science and Higher Education of the Russian Federation [RFMEFI61618X0097]
- PHC Kolmogorov project [41129RC]
This study investigated the high-temperature polymorphic conversion of carbamazepine (CBZ) in a high-density supercritical CO2 medium, revealing that the scCO(2) phase contains only one CBZ conformer when in equilibrium with CBZ melt - SCF solution. It was proven that pure CBZ polymorph I can be obtained through crystallization from CBZ solution in scCO(2).
In this work, we studied the high-temperature polymorphic conversion of carbamazepine (CBZ) in a high-density supercritical CO2 (scCO(2)) medium in the temperature range of 110-200 degrees C In order to understand the mechanism of transformation we performed a detailed IR analysis of the supercritical fluid (SCF) phase being in permanent contact with an excess of CBZ. We studied the conformational equilibrium of CBZ molecules in scCO(2) phase under isochoric heating conditions. Three temperature ranges, where different types of CBZ-scCO(2) equilibria are realized, were considered: i. CBZ solid - SCF solution; ii. phase transition region related to the melting of CBZ in high-density scCO(2); iii. CBZ melt - SCF solutions. An analysis of the IR spectroscopy data on CBZ dissolved in the scCO(2) phase obtained for the third temperature range shows that when CBZ melt - SCF solution equilibrium exists, the scCO(2) phase contains only one CBZ conformer. Relying on this finding, we hypothesized that it is possible to obtain pure CBZ polymorph I by the crystallization from CBZ solution in scCO(2). This statement has been proven by the micro Raman analysis of the crystalline substance being obtained from such fluid solution. (C) 2020 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据