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-Reference-Cited by-同舟云学术

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

Published:2015-04 Issue:16 Volume:71 Page:2463-2481
ISSN:0040-4020
Container-title:Tetrahedron
language:en
Short-container-title:Tetrahedron

Author:

Kolocouris Antonios,Koch Andreas,Kleinpeter Erich,Stylianakis Ioannis

Funder

Chiesi Hellas

Publisher

Elsevier BV

Subject

Organic Chemistry,Drug Discovery,Biochemistry

Reference133 articles.

1. See, for example:

2. Ab-initio quantum-mechanical GIAO calculation of the anisotropic effect of C–C and X–C single bonds—application to the1H NMR spectrum of cyclohexane

3. Rationalization of the anomalous 1H NMR chemical shifts in 1,3-diheterocyclohexanes

4. It is noteworthy that fundamental structural problems in organic chemistry, like the understanding of the forces leading to the relative stabilization of the different conformers in ethane and butane, are currently under intense research. Some relevant references are:

5. The Case for Steric Repulsion Causing the Staggered Conformation of Ethane

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