Angular dependence of spin–spin coupling constants

RH Contreras, JE Peralta - Progress in Nuclear Magnetic Resonance …, 2000 - Elsevier
Very early in the history of NMR spectroscopy it was realised that it had an enormous
potential for studying conformations and configurations in organic compounds. After more …

Hyperconjugation

IV Alabugin, G dos Passos Gomes… - Wiley Interdisciplinary …, 2019 - Wiley Online Library
This review outlines the role of hyperconjugative interactions in the structure and reactivity of
organic molecules. After defining the common hyperconjugative patterns, we discuss the …

[图书][B] Stereoelectronic effects: a bridge between structure and reactivity

IV Alabugin - 2016 - books.google.com
Stereoelectronic Effects illustrates the utility of stereoelectronic concepts using structure and
reactivity of organic molecules An advanced textbook that provides an up-to-date overview …

MA'AT Analysis: Probability Distributions of Molecular Torsion Angles in Solution from NMR Spectroscopy

RJ Meredith, I Carmichael, RJ Woods… - Accounts of Chemical …, 2023 - ACS Publications
Conspectus Monosaccharides adopt multiple conformations in solution, and this structural
complexity increases significantly when they are assembled into oligosaccharides and …

Hydroxymethyl Group Conformation in Saccharides: Structural Dependencies of 2JHH, 3JHH, and 1JCH Spin−Spin Coupling Constants

R Stenutz, I Carmichael, G Widmalm… - The Journal of Organic …, 2002 - ACS Publications
Experimental and theoretical methods have been used to correlate 2 J HH and 3 J HH
values within the exocyclic hydroxymethyl groups (CH2OH) of saccharides with specific …

Acyclic Forms of [1-13C]Aldohexoses in Aqueous Solution:  Quantitation by 13C NMR and Deuterium Isotope Effects on Tautomeric Equilibria

Y Zhu, J Zajicek, AS Serianni - The Journal of organic chemistry, 2001 - ACS Publications
High-resolution 13C NMR spectra (150 MHz) have been obtained on the complete series of
d-aldohexoses (d-allose 1, d-altrose 2, d-galactose 3, d-glucose 4, d-gulose 5, d-idose 6, d …

Conformational analysis of furanoside-containing mono-and oligosaccharides

HA Taha, MR Richards, TL Lowary - Chemical Reviews, 2013 - ACS Publications
D-arabinofuranose (2), as well as many plants, which produce polysaccharides rich in L-
arabinofuranose (3) 11− 14 and D-fructofuranose (4). 6 Other examples include the …

Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations

FV Toukach, VP Ananikov - Chemical Society Reviews, 2013 - pubs.rsc.org
All living systems are comprised of four fundamental classes of macromolecules–nucleic
acids, proteins, lipids, and carbohydrates (glycans). Glycans play a unique role of joining …

Spin–spin coupling tensors as determined by experiment and computational chemistry

J Vaara, J Jokisaari, RE Wasylishen… - Progress in Nuclear …, 2002 - Elsevier
Our aim is to examine the recent experimental and theoretical research involving the nuclear
spin–spin coupling tensor, the indirect coupling mediated by the electronic structure, JMN …

Modern quantum chemical methods for calculating spin–spin coupling constants: Theoretical basis and structural applications in chemistry

YY Rusakov, LB Krivdin - Russian Chemical Reviews, 2013 - iopscience.iop.org
The modern quantum chemical methods for calculating spin–spin coupling constants in
NMR spectra are reviewed. The theoretical basis of these methods and author's vision of the …