Effect of Electronegative Substituents and Angular Dependence on the Heteronuclear Spin−Spin Coupling Constant 3JC−H: An Empirical Prediction Equation Derived by Density Functional Theory Calculations-Reference-Cited by-同舟云学术

Effect of Electronegative Substituents and Angular Dependence on the Heteronuclear Spin−Spin Coupling Constant 3JC−H: An Empirical Prediction Equation Derived by Density Functional Theory Calculations

Published:2010-02-25 Issue:6 Volume:75 Page:1982-1991
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Palermo Giulia¹,Riccio Raffaele¹,Bifulco Giuseppe¹

Affiliation:

1. Dipartimento di Scienze Farmaceutiche, University of Salerno, Via Ponte Don Melillo, 84084 Fisciano, Salerno, Italy

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jo902704u

Reference86 articles.

1. Unravelling molecular structure and conformation—the modern role of coupling constants

2. Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods

3. Characterization of the Monovalent Ion Position and Hydrogen-Bond Network in Guanine Quartets by DFT Calculations of NMR Parameters

4. Geometry Dependence of Spin–Spin Couplings in Cyanamide by DFT Analysis

5. Conformational Preferences of Natural and C3-Modified Epothilones in Aqueous Solution

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