Ebook: Hydrogen Bond Research

Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.

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Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.
Content:
Front Matter....Pages i-2
Hydrogen Bonding: From Small Clusters to Biopolymers....Pages 3-16
NMR Techniques to Study Hydrogen Bonding in Aqueous Solution....Pages 17-38
Mannich Bases as Model Compounds for Intramolecular Hydrogen Bonding II [1] Structure and Properties in Solution....Pages 39-57
Competitive Hydrogen Bonds and Conformational Equilibria in 2,6-Disubstituted Phenols Containing two Different Carbonyl Substituents....Pages 59-72
The Dimer of Cyanodiacetylene: Stacking vs. Hydrogen Bonding....Pages 73-86
Proton Motion and Proton Transfer in the Formic Acid Dimer and in 5,8-Dihydroxy-1,4-naphthoquinone: A PAW Molecular Dynamics Study....Pages 87-101
Correlation of O-H Stretching Frequencies and O-H O Hydrogen Bond Lengths in Minerals....Pages 103-115

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Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.
Content:
Front Matter....Pages i-2
Hydrogen Bonding: From Small Clusters to Biopolymers....Pages 3-16
NMR Techniques to Study Hydrogen Bonding in Aqueous Solution....Pages 17-38
Mannich Bases as Model Compounds for Intramolecular Hydrogen Bonding II [1] Structure and Properties in Solution....Pages 39-57
Competitive Hydrogen Bonds and Conformational Equilibria in 2,6-Disubstituted Phenols Containing two Different Carbonyl Substituents....Pages 59-72
The Dimer of Cyanodiacetylene: Stacking vs. Hydrogen Bonding....Pages 73-86
Proton Motion and Proton Transfer in the Formic Acid Dimer and in 5,8-Dihydroxy-1,4-naphthoquinone: A PAW Molecular Dynamics Study....Pages 87-101
Correlation of O-H Stretching Frequencies and O-H O Hydrogen Bond Lengths in Minerals....Pages 103-115
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