Literature DB >> 31125992

Computational 1 H NMR: Part 2. Chemical applications.

Leonid B Krivdin1,2.   

Abstract

This is the second one of three closely interrelated reviews dealing with computation of 1 H NMR chemical shifts and 1 H-1 H spin-spin coupling constants prepared for Magnetic Resonance in Chemistry. Presented in this review are some basic notes and illustrative examples of how modern computational 1 H NMR could be used for structural elucidation and stereoelectronic studies of the medium-sized organic molecules involving saturated, unsaturated, aromatic, and heteroaromatic compounds together with their functional derivatives and coordination complexes to get deeper insight into their stereochemical structure and stereodynamic behavior.
© 2019 John Wiley & Sons, Ltd.

Keywords:  1H NMR chemical shifts; 1H-1H spin-spin coupling constants; DFT and ab initio calculations; coordination complexes; functional derivatives; heterocycles; saturated compounds; small molecules; unsaturated and aromatic compounds

Year:  2019        PMID: 31125992     DOI: 10.1002/mrc.4896

Source DB:  PubMed          Journal:  Magn Reson Chem        ISSN: 0749-1581            Impact factor:   2.447


  3 in total

Review 1.  Computational NMR of Carbohydrates: Theoretical Background, Applications, and Perspectives.

Authors:  Leonid B Krivdin
Journal:  Molecules       Date:  2021-04-22       Impact factor: 4.411

2.  The Influence of Metal Lithium and Alkyl Chain in the Nucleating Agent Lauroyloxy-Substituted Aryl Aluminum Phosphate on the Crystallization and Optical Properties for iPP.

Authors:  Fuhua Lin; Mi Zhang; Shuangdan Mao; Jianjun Zhang; Kezhi Wang; Jun Luo; Xinde Chen; Bo Wang; Yinghui Wei
Journal:  Polymers (Basel)       Date:  2022-09-02       Impact factor: 4.967

3.  Synthesis and Identification of Epoxy Derivatives of 5-Methylhexahydroisoindole-1,3-dione and Biological Evaluation.

Authors:  Kariny B A Torrent; Elson S Alvarenga
Journal:  Molecules       Date:  2021-03-30       Impact factor: 4.411

  3 in total

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