Estimating the energy of intramolecular hydrogen bonds from1H NMR and QTAIM calculations-Reference-Cited by-同舟云学术

Estimating the energy of intramolecular hydrogen bonds from1H NMR and QTAIM calculations

Published:2016 Issue:47 Volume:14 Page:11199-11211
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Afonin Andrei V.¹²³⁴,Vashchenko Alexander V.¹²³⁴,Sigalov Mark V.⁵⁶⁷⁸

Affiliation:

1. Institute of Chemistry

2. Siberian Division of Russian Academy of Sciences

3. 664033 Irkutsk

4. Russia

5. Department of Chemistry

6. Ben-Gurion University of the Negev

7. Beer Sheva

8. Israel

Abstract

Novel equations have been derived for the assessment of the E intramolecular hydrogen bond energy based on the experimental¹H NMR data and the calculated QTAIM topologicalVandρparameters of the hydrogen bond critical point.

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/OB/C6OB01604A

Reference82 articles.

1. Defining the hydrogen bond: An account (IUPAC Technical Report)

2. Definition of the hydrogen bond (IUPAC Recommendations 2011)

3. Theoretical studies of strong hydrogen bonds

4. On the Physical Origin of Blue-Shifted Hydrogen Bonds

5. Red- versus Blue-Shifting Hydrogen Bonds: Are There Fundamental Distinctions?

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