[HTML][HTML] A spectroscopic overview of intramolecular hydrogen bonds of NH… O, S, N type

PE Hansen - Molecules, 2021 - mdpi.com
Intramolecular NH… O, S, N interactions in non-tautomeric systems are reviewed in a broad
range of compounds covering a variety of NH donors and hydrogen bond acceptors. 1H …

Chemically fueled self-sorted hydrogels

N Singh, A Lopez-Acosta, GJM Formon… - Journal of the …, 2021 - ACS Publications
Narcissistic self-sorting in supramolecular assemblies can help to construct materials with
more complex hierarchies. Whereas controlled changes in pH or temperature have been …

[HTML][HTML] NMR of natural products as potential drugs

PE Hansen - Molecules, 2021 - mdpi.com
This review outlines methods to investigate the structure of natural products with emphasis
on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR …

Two Different Clar's Sextets: Clar's Rule Does Not Necessarily Contradict the Global Pathway of Conjugated Macrocycles

PP Desale, MS Ko, TH Roh, JI Ham… - Journal of the American …, 2024 - ACS Publications
Two contradictory theories, Clar's sextet and resonance theory, explain the stability of
conjugated macrocycles using localized and delocalized models, respectively. To reconcile …

N⋯ HN versus O⋯ HN intramolecular hydrogen bonding in E-and Z-isomers of para-substituted phenylhydrazones: Differential nature of the H-bonds and the …

BK Paul - Computational and Theoretical Chemistry, 2024 - Elsevier
The present work demonstrates a computational investigation into the N⋯ Hsingle bondN (E-
isomer) and O⋯ Hsingle bondN (Z-isomer) intramolecular H-bonding (IMHB) in a miscellany …

Theoretical and experimental study of resonance-assisted hydrogen bond in o-hydroxyl diaryl schiff bases

L Zhang, C Cao, C Cao - Journal of Molecular Structure, 2024 - Elsevier
In this paper, the intramolecular hydrogen bond (IMHB) energies (E HB) in fifty 2-OH-
XArCH= NArY (2-OH-XBAY) compounds containing resonance-assisted hydrogen bond …

Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules

PE Hansen - Molecules, 2022 - mdpi.com
This review is giving a short introduction to the techniques used to investigate isotope effects
on NMR chemical shifts. The review is discussing how isotope effects on chemical shifts can …

Tuning the resonance-assisted hydrogen bond (RAHB) of malonaldehyde using π-conjugated substituents and presentation of its energy decomposition

P Karimi, M Sanchooli - Journal of Molecular Graphics and Modelling, 2022 - Elsevier
Position of substituents (R 1= H and R 2, R 3= H, F, C n H n+ 1) on malonaldehyde has been
changed to amplify its intramolecular hydrogen bonding (IHB) interaction. Results show that …

[HTML][HTML] Nearest-Neighbour and Non-Nearest-Neighbour Non-Covalent Interactions between Substituents in the Aromatic Systems: Experimental and Theoretical …

AA Samarov, SO Kondratev, SP Verevkin - Molecules, 2022 - mdpi.com
Benzophenone derivatives exhibit not only biological activity but also act as photo initiator
and UV blocker. We carried out experimental and theoretical thermochemical studies of …

New phosphonium bromobismuthate as selective catalytic reagent in the heterocyclization reactions

R Salmasi, M Gholizadeh, A Salimi… - Applied …, 2023 - Wiley Online Library
A new hybrid phosphonium bromobismuthate compound was synthesized and
characterized by 1H NMR, 13C NMR, 31P NMR, FT‐IR, differential scanning calorimetry …