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Nuclear quantum effects of hydrogen bonds probed by tip-enhanced inelastic electron tunneling
Science, 2016Quantum effects in single hydrogen bonds Hydrogen bonds are a combination of electrostatics with a nuclear quantum contribution arising from the light mass of hydrogen nuclei.
Jing Guo +10 more
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Inference: International Review of Science, 2015
The claim that chemistry has been explained in terms of quantum theory is received wisdom. Yet quantum physics is unable to explain the strong association of water molecules in liquid or ice. Marc Henry suggests the hydrogen bond is an emergent property of matter resulting from a non-linear coupling between quantified energy levels of water molecules ...
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The claim that chemistry has been explained in terms of quantum theory is received wisdom. Yet quantum physics is unable to explain the strong association of water molecules in liquid or ice. Marc Henry suggests the hydrogen bond is an emergent property of matter resulting from a non-linear coupling between quantified energy levels of water molecules ...
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Hydrogen bonding in sulfonamides
Journal of Pharmaceutical Sciences, 2001The hydrogen-bond connectivity in 39 sulfonamide crystal structures has been deciphered and described using graph set notation. The hydrogen-bond connectivity observed is used to gain information on hydrogen-bond preferences of specific donor and acceptor atoms of related sulfonamide molecules.
Daniel A. Adsmond, David J.W. Grant
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Competition between Hydrogen Bonds and Coordination Bonds Steered by the Surface Molecular Coverage.
ACS Nano, 2017In addition to the choices of metal atoms/molecular linkers and surfaces, several crucial parameters, including surface temperature, molecular stoichiometric ratio, electrical stimulation, concentration, and solvent effect for liquid/solid interfaces ...
L. Cai +5 more
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Role of Hydrogen Bonds in Thermal Transport across Hard/Soft Material Interfaces.
ACS Applied Materials and Interfaces, 2016The nature of the bond is a dominant factor in determining the thermal transport across interfaces. In this paper, we study the role of the hydrogen bond in thermal transport across interfaces between hard and soft materials with different surface ...
Teng Zhang +7 more
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The Journal of Physical Chemistry A, 2006
In this Article we extend the idea of detecting a hydrogen bond solely on one single quantum chemically determined descriptor. We present an improvement of the method introduced by Reiher et al. (Theor. Chim. Acta 2001, 106, 379), who mapped the strength of the hydrogen bond onto an easily accessible quantity, namely, the two-center shared-electron ...
Barbara Kirchner, Jens Thar
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In this Article we extend the idea of detecting a hydrogen bond solely on one single quantum chemically determined descriptor. We present an improvement of the method introduced by Reiher et al. (Theor. Chim. Acta 2001, 106, 379), who mapped the strength of the hydrogen bond onto an easily accessible quantity, namely, the two-center shared-electron ...
Barbara Kirchner, Jens Thar
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Hydrogen-Bonded Dihydrotetraazapentacenes
Organic Letters, 2012Three new members of N-heteropentacenes explored herein have adjacent pyrazine and dihydropyrazine rings at one end of the pentacene backbone. Interesting findings from this study include self-complementary N-H···N H-bonds in the solid state, solvent-dependent UV-vis absorption caused by H-bonding, and new p-type organic semiconductors with field ...
Qian Miao +4 more
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Estimating the energy of intramolecular hydrogen bonds from 1H NMR and QTAIM calculations.
Organic and biomolecular chemistry, 2016The values of the downfield chemical shift of the bridge hydrogen atom were estimated for a series of compounds containing an intramolecular hydrogen bond O-HO, O-HN, O-HHal, N-HO, N-HN, C-HO, C-HN and C-HHal.
A. Afonin, A. Vashchenko, M. Sigalov
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Reports on Progress in Physics, 1952
A survey is given of the infra-red spectra of substances possessing hydroxyl groups and of the position of the O-H valence vibration in the solid, liquid and gaseous state and in dilute solutions. The spectra of water, alcohols and carboxylic acids are discussed separately; and evidence for molecular association is adduced from the experiments on ...
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A survey is given of the infra-red spectra of substances possessing hydroxyl groups and of the position of the O-H valence vibration in the solid, liquid and gaseous state and in dilute solutions. The spectra of water, alcohols and carboxylic acids are discussed separately; and evidence for molecular association is adduced from the experiments on ...
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Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions.
Chemical Communications, 2016Ionic liquids (ILs) have many potential applications in the chemical industry. In order to understand ILs, their molecular details have been extensively investigated. Intuitively, electrostatic forces are solely important in ILs. However, experiments and
Kun Dong, Suojiang Zhang, Jianji Wang
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