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杂原子原子尺寸如何决定羧酸酰胺、硫代酰胺和硒代酰胺的氢键供体能力。

How the Chalcogen Atom Size Dictates the Hydrogen-Bond Donor Capability of Carboxamides, Thioamides, and Selenoamides.

机构信息

Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081HV, Amsterdam, The Netherlands.

Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2333CC, Leiden, The Netherlands.

出版信息

Chemistry. 2022 Jun 1;28(31):e202201309. doi: 10.1002/chem.202201309. Epub 2022 May 12.

Abstract

Invited for the cover of this issue are Celine Nieuwland and Célia Fonseca Guerra of the Vrije Universiteit Amsterdam. The image depicts how the increasing atom size of the chalcogen from O to S to Se elongates the carbon-chalcogen bond in amides due to the increase in the steric Pauli repulsion and thereby enhances the amide hydrogen-bond donor strength. Read the full text of the article at 10.1002/chem.202200755.

摘要

本期的封面邀请到了阿姆斯特丹自由大学的 Celine Nieuwland 和 Célia Fonseca Guerra。这张图片描绘了随着氧、硫、硒这些杂原子半径的增大,酰胺中碳-杂原子键逐渐被拉长,这是由于空间位阻的 Pauli 斥力增加,从而增强了酰胺氢键给体的强度。全文请阅读 10.1002/chem.202200755。

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