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分子内氢键研究中化学位移的同位素效应。

Isotope effects on chemical shifts in the study of intramolecular hydrogen bonds.

作者信息

Hansen Poul Erik

机构信息

Department of Science, Systems and Models, Roskilde University, Universitetsvej 1, Roskilde DK-4000, Denmark.

出版信息

Molecules. 2015 Jan 30;20(2):2405-24. doi: 10.3390/molecules20022405.

DOI:10.3390/molecules20022405
PMID:25647577
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6272349/
Abstract

The paper deals with the use of isotope effects on chemical shifts in characterizing intramolecular hydrogen bonds. Both so-called resonance-assisted (RAHB) and non-RAHB systems are treated. The importance of RAHB will be discussed. Another very important issue is the borderline between "static" and tautomeric systems. Isotope effects on chemical shifts are particularly useful in such studies. All kinds of intramolecular hydrogen bonded systems will be treated, typical hydrogen bond donors: OH, NH, SH and NH+, typical acceptors C=O, C=N, C=S C=N-. The paper will be deal with both secondary and primary isotope effects on chemical shifts. These two types of isotope effects monitor the same hydrogen bond, but from different angles.

摘要

本文论述了利用化学位移的同位素效应来表征分子内氢键。文中讨论了所谓的共振辅助氢键（RAHB）体系和非RAHB体系。将探讨RAHB的重要性。另一个非常重要的问题是“静态”体系与互变异构体系之间的界限。化学位移的同位素效应在此类研究中特别有用。将讨论各种分子内氢键体系，典型的氢键供体：OH、NH、SH和NH⁺，典型的受体C=O、C=N、C=S、C=N⁻。本文将讨论化学位移的二级和一级同位素效应。这两种类型的同位素效应监测的是同一个氢键，但角度不同。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/09667fedf813/molecules-20-02405-g021.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/c8f0e67b3765/molecules-20-02405-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/9fbf81867ba9/molecules-20-02405-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/17c7572ae7d8/molecules-20-02405-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/bfce2a3161b4/molecules-20-02405-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/6261ab5e4edf/molecules-20-02405-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/ef7f3639748e/molecules-20-02405-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/4f396ec54249/molecules-20-02405-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/ba8d3124a557/molecules-20-02405-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/50a52d65db66/molecules-20-02405-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/409eb97bdad9/molecules-20-02405-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/d26e0c16a1b2/molecules-20-02405-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/89bcfbb262da/molecules-20-02405-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/56015f8e10b5/molecules-20-02405-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/2f7457b031be/molecules-20-02405-g014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/b1936c36f9da/molecules-20-02405-g015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/068e25d791b0/molecules-20-02405-g016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/41e810fa1ca6/molecules-20-02405-g017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/2bc044ac954d/molecules-20-02405-g018.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/0c221b14ee8e/molecules-20-02405-g019.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/f4ae269c5a01/molecules-20-02405-g020.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/09667fedf813/molecules-20-02405-g021.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/c8f0e67b3765/molecules-20-02405-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/9fbf81867ba9/molecules-20-02405-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/17c7572ae7d8/molecules-20-02405-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/bfce2a3161b4/molecules-20-02405-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/6261ab5e4edf/molecules-20-02405-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/ef7f3639748e/molecules-20-02405-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/4f396ec54249/molecules-20-02405-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/ba8d3124a557/molecules-20-02405-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/50a52d65db66/molecules-20-02405-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/409eb97bdad9/molecules-20-02405-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/d26e0c16a1b2/molecules-20-02405-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/89bcfbb262da/molecules-20-02405-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/56015f8e10b5/molecules-20-02405-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/2f7457b031be/molecules-20-02405-g014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/b1936c36f9da/molecules-20-02405-g015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/068e25d791b0/molecules-20-02405-g016.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/41e810fa1ca6/molecules-20-02405-g017.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/2bc044ac954d/molecules-20-02405-g018.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/0c221b14ee8e/molecules-20-02405-g019.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/f4ae269c5a01/molecules-20-02405-g020.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/de27/6272349/09667fedf813/molecules-20-02405-g021.jpg

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