Suppr超能文献

固态化学家对有机化合物晶体多晶型性的看法。

A solid-state chemist's view of the crystal polymorphism of organic compounds.

作者信息

Gavezzotti Angelo

机构信息

Department of Structural Chemistry and Faculty of Pharmacy, The University of Milano, Italy.

出版信息

J Pharm Sci. 2007 Sep;96(9):2232-41. doi: 10.1002/jps.20870.

Abstract

In a survey of some structural and energetic aspects of crystal polymorphism, definitions are proposed, and a method for generating an unequivocal fingerprint of the cohesive pattern of an organic crystal structure is presented. The method identifies the electronic nature of molecule-molecule interactions in crystals, and its application requires a minimal training in basic crystallography and molecular modeling. The analysis suggests that thermodynamic and physical properties of polymorphs of organic crystals are quite often very similar, and sometimes depend on morphology as well as on crystal structure. It is also suggested that real polymorphism should be distinguished from the many defective or modulated structural variations often appearing in the crystallization of weakly bound molecular materials.

摘要

在一项关于晶体多晶型的一些结构和能量方面的调查中,提出了定义,并给出了一种生成有机晶体结构内聚模式明确指纹图谱的方法。该方法可识别晶体中分子间相互作用的电子性质,其应用仅需对基础晶体学和分子建模进行最少的培训。分析表明,有机晶体多晶型的热力学和物理性质通常非常相似,有时还取决于形态以及晶体结构。还表明,应将真正的多晶型与弱结合分子材料结晶过程中经常出现的许多有缺陷或调制的结构变化区分开来。

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验