Cargando…
Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with (1)H-NMR Chemical Shifts and X-ray Diffraction Methods
The exact knowledge of hydrogen atomic positions of O–H···O hydrogen bonds in solution and in the solid state has been a major challenge in structural and physical organic chemistry. The objective of this review article is to summarize recent developments in the refinement of labile hydrogen positio...
Autores principales: | Siskos, Michael G., Choudhary, M. Iqbal, Gerothanassis, Ioannis P. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155303/ https://www.ncbi.nlm.nih.gov/pubmed/28272366 http://dx.doi.org/10.3390/molecules22030415 |
Ejemplares similares
-
Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and (1)H-NMR Chemical Shifts
por: Mari, Saima H., et al.
Publicado: (2019) -
DFT Calculations of (1)H NMR Chemical Shifts of Geometric Isomers of Conjugated Linolenic Acids, Hexadecatrienyl Pheromones, and Model Triene-Containing Compounds: Structures in Solution and Revision of NMR Assignments
por: Venianakis, Themistoklis, et al.
Publicado: (2021) -
(1)H-NMR as a Structural and Analytical Tool of Intra- and Intermolecular Hydrogen Bonds of Phenol-Containing Natural Products and Model Compounds
por: Charisiadis, Pantelis, et al.
Publicado: (2014) -
DFT Calculations of (1)H- and (13)C-NMR Chemical Shifts of Geometric Isomers of Conjugated Linoleic Acid (18:2 ω-7) and Model Compounds in Solution
por: Venianakis, Themistoklis, et al.
Publicado: (2020) -
Temperature-Dependent Solid-State NMR Proton Chemical-Shift
Values and Hydrogen Bonding
por: Malär, Alexander A., et al.
Publicado: (2021)