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关于难以捉摸的晶体形式:帕拉塞他的案例
Yumin Liu1,2, Benjamin Gabriele2, Roger J Davey2
1School of Chemical Engineering and Technology, Collaborative Innovation Center of Chemical Science and Chemical Engineering, Tianjin University, Tianjin 300072, P. R. China.
Journal of the American Chemical Society
|March 29, 2020
概括
晶体结构预测面临难以捉摸的多态,难以结晶的形式的挑战. 这项研究使用甲胺来研究胺
科学领域:
- 固态化学
- 晶体学
- 材料科学
背景情况:
- 晶体结构预测越来越多地用于固体形式的发现.
- 预测结构和实验结晶之间存在显著的差距,特别是在难以捉摸的多态体中.
- 难以捉摸的多态很难结晶,出现在或消失不可预测.
研究的目的:
- 调查帕拉西塔摩尔 (PCM) 多态体难以捉摸的结构和运动起源.
- 利用甲醇 (MCM) 对PCM形式II的稳定作用,以便进行比较运动实验.
- 了解添加剂在控制多态结晶中的作用.
主要方法:
- 用甲醇作为选择性添加剂进行对抗甲醇多态体的比较动力实验.
- 对晶体生长速度和吸附现象的分析.
- 结晶生长量的计算.
主要成果:
- 甲醇 (MCM) 通过对特定晶体表面的吸附来选择性地抑制甲醇 (PCM) 形式I的生长.
- MCM不会影响PCM形式II的生长.
- 比较的动力实验显示了PCM形式I和II之间的线性增长率的差异.
结论:
- 相对增长动力学,特别是考虑增长量时,解释了PCM形式II的难以捉摸的性质.
- 像MCM这样的添加剂可以成为研究和控制难以捉摸的多态结晶的关键工具.
- 了解动力学因素对于弥合晶体结构预测与实验现实之间的差距至关重要.
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