固态金属-有机体系的预测缔合：基于分子静电势的方法

IF 2 2区化学 Q2 CRYSTALLOGRAPHY

Crystallography Reviews Pub Date : 2020-03-03 DOI:10.1080/0889311X.2020.1731803

M. Đaković

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引用次数: 2

摘要

尽管晶体工程领域自几十年前诞生以来已经取得了巨大的进步，但设计具有改进性能或性能的晶体固体仍然是一项具有挑战性的任务。在此，我们将举例说明最近在有机晶体工程中采用超分子合成指南并将其调整为含金属系统，特别是低维系统方面取得的成功。证明了计算分子静电势(MEP)作为一种新的晶体工程工具的通用性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Predictive association of metal–organic systems in the solid-state: the molecular electrostatic potential based approach

Designing crystalline solids with improved properties or performances remains a challenging task, despite great strides that have been made within the field of crystal engineering since its birth several decades ago. Herein, we are bringing examples that illustrate recent successes in taking supramolecular synthetic guidelines from the organic crystal engineering and adjusting those to metal-containing systems, particularly to the lower-dimensional ones. The versatility of calculated molecular electrostatic potential (MEP) as a new crystal engineering tool is demonstrated.

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来源期刊

Crystallography Reviews CRYSTALLOGRAPHY-

CiteScore

3.70

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： Crystallography Reviews publishes English language reviews on topics in crystallography and crystal growth, covering all theoretical and applied aspects of biological, chemical, industrial, mineralogical and physical crystallography. The intended readership is the crystallographic community at large, as well as scientists working in related fields of interest. It is hoped that the articles will be accessible to all these, and not just specialists in each topic. Full reviews are typically 20 to 80 journal pages long with hundreds of references and the journal also welcomes shorter topical, book, historical, evaluation, biographical, data and key issues reviews.