DFT-GIAO-NBO and 13 C NMR study of the δ- syn -axial effect in 2,4-disubstituted adamantanes
Author:
Publisher
Wiley
Subject
General Materials Science,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.2333/fullpdf
Reference19 articles.
1. An empirical correlation between 13C chemical shielding and computed relative stabilities of diastereoisomers
2. Ab initio MP2/GIAO/NBO study of the δ-syn-axial effect in 13C NMR spectroscopy
3. 13C nuclear magnetic resonance spectra—VII
4. H. Duddeck 13 C NMR Spectroscopic Studies-Stereochemical and Electronic Influences of Substituents and their Intramolecular Interaction on the 13 C Chemical Shift 1978
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2. The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters;Dalton Trans.;2017
3. 2-Substituted and 2,2-disubstituted adamantane derivatives as models for studying substituent chemical shifts and C–Hax⋯Yax cyclohexane contacts—results from experimental and theoretical NMR spectroscopic chemical shifts and DFT structures;Tetrahedron;2015-04
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