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Special Issue: Intramolecular Hydrogen Bonding
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Molecules 2015, 20(2), 2405-2424; doi:10.3390/molecules20022405

Isotope Effects on Chemical Shifts in the Study of Intramolecular Hydrogen Bonds

Department of Science, Systems and Models, Roskilde University, Universitetsvej 1, Roskilde DK-4000, Denmark
Academic Editor: Ronald Castellano
Received: 4 December 2014 / Revised: 17 December 2014 / Accepted: 5 January 2015 / Published: 30 January 2015
(This article belongs to the Special Issue Intramolecular Hydrogen Bonding)

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. View Full-Text
Keywords: RAHB; isotope effects on chemical shifts; tautomeric systems RAHB; isotope effects on chemical shifts; tautomeric systems
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Hansen, P.E. Isotope Effects on Chemical Shifts in the Study of Intramolecular Hydrogen Bonds. Molecules 2015, 20, 2405-2424.

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