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Hydrogen bond

About: Hydrogen bond is a research topic. Over the lifetime, 57701 publications have been published within this topic receiving 1306326 citations.


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TL;DR: In this paper, the authors analyzed the CH-O interaction between FnH3-nCH as proton donor and H 2O, CH3OH, and H2CO as acceptor and found that the interaction is quite weak with CH4 as donor but is enhanced by 1 kcal/mol with each F added to the donor.
Abstract: Ab initio calculations are used to analyze the CH···O interaction between FnH3-nCH as proton donor and H2O, CH3OH, and H2CO as acceptor. The interaction is quite weak with CH4 as donor but is enhanced by 1 kcal/mol with each F added to the donor. The CH···O interaction behaves very much like a conventional OH···O H-bond in most respects, including shifts in electron density that accompany the formation of the bond and the magnitudes of the various components of the interaction energy. The two sorts of H-bonds also gravitate toward a similar equilibrium geometry and are comparably sensitive to deformations from that structure. In a quantitative sense, while both CH···O and OH···O prefer a linear configuration, the former is somewhat more easily bent and is less sensitive to stretches from its equilibrium H-bond length. Whereas the OH bond has been shown to stretch and undergo a red shift in its vibrational frequency upon formation of a H-bond, the CH bond of the molecules studied here follows the opposite ...

864 citations

Journal ArticleDOI
TL;DR: In this paper, the authors used FTIR spectroscopy measurements to confirm a high level of hydrogen bonding between polyaniline and the nonionic polymer in the multilayer films.
Abstract: The molecular-level layer-by-layer processing of polyaniline with a variety of different nonionic water soluble polymers has been demonstrated. This new type of layer-by-layer adsorption process is driven by hydrogen-bonding interactions and has been accomplished with poly(vinylpyrrolidone), poly(vinyl alcohol), poly(acrylamide), and poly(ethylene oxide). FTIR spectroscopy measurements confirm a high level of hydrogen bonding between polyaniline and the nonionic polymer in the multilayer films. The effects of solution pH and polymer molecular weight on the deposition process were investigated. Comparisons with polyaniline films assembled via an electrostatic mechanism with sulfonated polystyrene indicate that the nonionic polymers adsorb onto polyaniline with a greater density of loops and tails and form highly interpenetrated bilayers with a high polyaniline content. The conductivities of these self-assembled multilayer films were found to be on the order of 1−4 S/cm for films doped with methane sulfonic...

855 citations

Journal ArticleDOI
18 Jul 2003-Science
TL;DR: This result shows that the presence of ions does not lead to an enhancement or a breakdown of the hydrogen-bond network in liquid water.
Abstract: The effects of ions on bulk properties of liquid water, such as viscosity, have suggested that ions alter water's hydrogen-bonding network We measured the orientational correlation time of water molecules in Mg(ClO4)2, NaClO4, and Na2SO4 solutions by means of femtosecond pump-probe spectroscopy The addition of ions had no influence on the rotational dynamics of water molecules outside the first solvation shells of the ions This result shows that the presence of ions does not lead to an enhancement or a breakdown of the hydrogen-bond network in liquid water

850 citations

Journal ArticleDOI
TL;DR: This article showed that covalently bound fluorine hardly ever acts as a hydrogen-bond acceptor, which is in accord with results of other physicochemical studies and with the physical properties of fluorinated organic compounds.
Abstract: Statistical analysis of structural data and detailed inspection of individual crystal structures culled from the Cambridge Structural Database and the Brookhaven Protein Data Bank show that covalently bound fluorine (in contrast to anionic fluoride) hardly ever acts as a hydrogen-bond acceptor. The weakness of covalently bound fluorine as hydrogen-bond acceptor is backed by results of new molecular orbital calculations on model systems using ab initio intermolecular perturbation theory (IMPT), and is in accord with results of other physicochemical studies and with the physical properties of fluorinated organic compounds. Factors influencing the strength of hydrogen bonding in extended systems are discussed.

826 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
20232,352
20224,647
20211,701
20201,599
20191,598
20181,668