Quantum Chemical Calculations of 1JCC Coupling Constants for the Stereochemical Determination of Organic Compounds-Reference-Cited by-同舟云学术

Quantum Chemical Calculations of 1JCC Coupling Constants for the Stereochemical Determination of Organic Compounds

Published:2013-01-16 Issue:3 Volume:15 Page:654-657
ISSN:1523-7060
Container-title:Organic Letters
language:en
Short-container-title:Org. Lett.

Author:

Bifulco Giuseppe¹,Riccio Raffaele¹,Martin Gary E.¹,Buevich Alexei V.¹,Williamson R. Thomas¹

Affiliation:

1. Dipartimento di Farmacia, Università di Salerno, Via Ponte Don Melillo, 84084 Fisciano (SA), Italy, Merck Research Laboratories Discovery and Preclinical Sciences, Process and Analytical Chemistry − Structure Elucidation Group Summit, New Jersey 07901, Kenilworth, New Jersey 07033, and Rahway, New Jersey 07065, United States

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ol3034803

Reference25 articles.

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

2. Determination of the Relative Stereochemistry of Flexible Organic Compounds by Ab Initio Methods: Conformational Analysis and Boltzmann-Averaged GIAO 13C NMR Chemical Shifts GIAO=gauge including atomic orbitals.

3. Stereochemical Determination of Acyclic Structures Based on Carbon−Proton Spin-Coupling Constants. A Method of Configuration Analysis for Natural Products

4. Vicinal Proton Coupling in Nuclear Magnetic Resonance

5. The relationship between proton-proton NMR coupling constants and substituent electronegativities—I

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