Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-NMR Chemical Shifts and X-ray Diffraction Methods

Hydrogen Atomic Positions of O–H···O Hydrogen Bonds in Solution and in the Solid State: The Synergy of Quantum Chemical Calculations with 1H-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...

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Bibliographic Details
Main Authors: Michael G. Siskos, M. Iqbal Choudhary, Ioannis P. Gerothanassis
Format: Article
Language:English
Published: MDPI AG 2017-03-01
Series:Molecules
Subjects:
chemical shifts
hydrogen bonding
DFT
X-ray diffraction
NMR
Online Access:http://www.mdpi.com/1420-3049/22/3/415

Internet

http://www.mdpi.com/1420-3049/22/3/415

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