| Literature DB >> 31125992 |
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.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