超分子化学中的氢原子：结构视角。它们在哪里，以及为何重要？

Hydrogen atoms in supramolecular chemistry: a structural perspective. Where are they, and why does it matter?

作者信息

Thompson Amber L, White Nicholas G

机构信息

Chemical Crystallography, Chemistry Research Laboratory, Mansfield Road, Oxford OX1 3TA, UK.

Research School of Chemistry, The Australian National University, Canberra 2601, ACT, Australia.

出版信息

Chem Soc Rev. 2023 Sep 18;52(18):6254-6269. doi: 10.1039/d3cs00516j.

DOI:10.1039/d3cs00516j

PMID:37599586

Abstract

Hydrogen bonding interactions are ubiquitous across the biochemical and chemical sciences, and are of particular interest to supramolecular chemists. They have been used to assemble hydrogen bonded polymers, cages and frameworks, and are the functional motif in many host-guest systems. Single crystal X-ray diffraction studies are often used as a key support for proposed structures, although this presents challenges as hydrogen atoms interact only weakly with X-rays. In this , we discuss the information that can be gleaned about hydrogen bonding interactions through crystallographic experiments, key limitations of the data, and emerging techniques to overcome these limitations.

摘要

氢键相互作用在生物化学和化学科学中普遍存在，尤其受到超分子化学家的关注。它们已被用于组装氢键聚合物、笼状结构和框架结构，并且是许多主客体系统中的功能基序。单晶X射线衍射研究通常被用作所提出结构的关键支撑，尽管这存在挑战，因为氢原子与X射线的相互作用很弱。在本文中，我们讨论了通过晶体学实验可以收集到的关于氢键相互作用的信息、数据的关键局限性以及克服这些局限性的新兴技术。