当前位置: X-MOL 学术Cryst. Res. Technol. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Cocrystallization: Application of Molecular Electrostatic Potential Surface to Predict Supramolecular Synthons for RDX/Solvent Cocrystals (Crystal Research and Technology 12/2019)
Crystal Research and Technology ( IF 1.5 ) Pub Date : 2019-12-09 , DOI: 10.1002/crat.201970032


Through cocrystallization, novel materials with tailored properties can be generated from existing materials. Most of reported studies on cocrystal formation center on the utilization of classical hydrogen bonding schemes. The requisite functional groups for such interactions are generally absent in explosives. Therefore, it is necessary to explore alternative supramolecular synthons for the explosive cocrystals. In article number 1900171, Weihua Zhu and co‐workers demonstrate the application of molecular electrostatic potential surface to predict supramolecular synthons for 1,3,5‐trinitro‐1,3,5‐triazinane (RDX)/solvent cocrystals.
image


中文翻译:

共结晶:分子静电势表面在RDX /溶剂共晶体的超分子合成子预测中的应用(Crystal Research and Technology 12/2019)

通过共结晶,可以从现有材料中生成具有定制性能的新型材料。关于共晶形成的大多数报道的研究都集中在经典氢键方案的利用上。在炸药中通常没有这种相互作用所必需的官能团。因此,有必要探索爆炸性共晶的替代超分子合成子。在文章编号1900171中,朱伟华及其同事演示了分子静电势表面在预测1,3,5-三硝基-1,3,5-三叠氮烷(RDX)/溶剂共晶体的超分子合成子中的应用。
图像
更新日期:2019-12-09
down
wechat
bug