Hydrogen bonding

Harmon, Kenneth M.; Avci, Günsel F.; Harmon, J. F.; Thiel, Anne C.

doi:10.1016/0022-2860(87)87004-7

Cited by 16 publications

(3 citation statements)

References 18 publications

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“…Previous experimental observations can shed some light on the detailed structure and bonding information of the hydrated interface at the molecular level . Spectrographic studies suggest highly ordered structures of water molecules and dissociation of hydration water at the gas/solid interface . Computer simulation provides an alternative way to better understanding of hydration phenomena of ions, ion pairs, and solid–liquid interfaces, such as the role of hydration energy and structural change with reduced water activity, which shows a high degree of positional ordering parallel to the surface.…”

Section: Figurementioning

confidence: 99%

The Effect of Moisture on the Hydrolysis of Basic Salts

Shi

Xiao

Chen

et al. 2016

Chemistry A European J

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A great deal of information exists concerning the hydration of ions in bulk water. Much less noticeable, but equally ubiquitous is the hydration of ions holding on to several water molecules in nanoscopic pores or in natural air at low relative humidity. Such hydration of ions with a high ratio of ions to water molecules (up to 1:1) are essential in determining the energetics of many physical and chemical systems. Herein, we present a quantitative analysis of the energetics of ion hydration in nanopores based on molecular modeling of a series of basic salts associated with different numbers of water molecules. The results show that the degree of hydrolysis of basic salts in the presence of a few water molecules is significantly different from that in bulk water. The reduced availability of water molecules promotes the hydrolysis of divalent and trivalent basic ions (S , CO , SO , HPO , SO , PO ), which produces lower valent ions (HS , HCO , HSO , H PO , HSO , HPO ) and OH ions. However, reducing the availability of water inhibits the hydrolysis of monovalent basic ions (CN , HS ). This finding sheds some light on a vast number of chemical processes in the atmosphere and on solid porous surfaces. The discovery has wide potential applications including designing efficient absorbents for acidic gases.

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Section: Figurementioning

confidence: 99%

The Effect of Moisture on the Hydrolysis of Basic Salts

Shi

Xiao

Chen

et al. 2016

Chemistry A European J

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“…Spectrographic studies have revealed a mechanism involving highly ordered structures and the dissociation of hydrated water at gas-solid interfaces. 39,40 In a study of water adsorption on sodium chloride crystallites, Lad 41 proposed an OH À enriched NaCl crystal surface as well as the formation of HCO 3 À as a result of treatment with CO 2 -H 2 O vapour. Aqueous carbonate ions can attract protons resulting from the disassociation of a water molecule.…”

Section: The Role Of Watermentioning

confidence: 99%

Moisture-swing sorption for carbon dioxide capture from ambient air: a thermodynamic analysis

Wang

Lackner

Wright

2013

Phys. Chem. Chem. Phys.

126

122

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An ideal chemical sorbent for carbon dioxide capture from ambient air (air capture) must have a number of favourable properties, such as environmentally benign behaviour, a high affinity for CO(2) at very low concentration (400 ppm), and a low energy cost for regeneration. The last two properties seem contradictory, especially for sorbents employing thermal swing adsorption. On the other hand, thermodynamic analysis shows that the energy cost of an air capture device need only be slightly larger than that of a flue gas scrubber. The moisture swing separation process studied in this paper provides a novel approach to low cost CO(2) capture from air. The anionic exchange resin sorbent binds CO(2) when dry and releases it when wet. A thermodynamic model with coupled phase and chemical equilibria is developed to study the complex H(2)O-CO(2)-resin system. The moisture swing behaviour is compatible with hydration energies changing with the activity of water on the resin surfaces. This activity is in turn set by the humidity. The rearrangement of hydration water on the resin upon the sorption of a CO(2) molecule is predicted as a function of the humidity and temperature. Using water as fuel to drive the moisture swing enables an economical, large-scale implementation of air capture. By generating CO(2) with low partial pressures, the present technology has implications for in situ CO(2) utilizations which require low pressure CO(2) gas rather than liquid CO(2).

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“…[17,18] Spectrographic studies suggest highly ordered structures of water molecules and dissociation of hydration water at the gas/solid interface. [19,20] Computer simulation provides an alternative way to better understanding of hydration phenomena of ions, ion pairs, and solid-liquid interfaces, [21][22][23] such as the role of hydration energya nd structuralc hangew ith reduced water activity, [24,25] whichs hows ah igh degree of positional ordering parallel to the surface. The comparison between dissociative and associative adsorption of water on the calcite surface [26][27][28] argued that the water dissociation is strongly disfavorede ven on surface defects of vacancies, except near aCO 3 2À ,i nwhich water molecules can be disassociated into protons and hydroxides.Here we presentt he free energy changeo fh ydrolysis for severalm ultivalent basic ions (S 2À ,C O 3 2À ,S O 3 2À ,H PO 4 2À ,S O 4 2À , PO 4 3À)a nd monovalentb asic ions (CN À ,H S À )i nt he presence of different number of waterm olecules (n)i nt he range from 1t o2 0, as shown equation (1).…”

mentioning

confidence: 99%

N‐Methylanilines as Simple and Efficient Promoters for Radical‐Type Cross‐Coupling Reactions of Aryl Iodides

Yang

Zhang

Jiao

2016

Chemistry A European J

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Activation of the carbon-halogen bonds in aryl halides is a key step in transition-metal-free cross-coupling reactions. In this paper, a new and efficient radical initiation system for the activation of iodoarenes to produce aryl radicals was discovered, which employs the combination of N-methylanilines and tBuOK. This radical initiation system is robust and versatile, enabling various types of aryl-radical-related reactions.

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Hydrogen bonding

Cited by 16 publications

References 18 publications

The Effect of Moisture on the Hydrolysis of Basic Salts

The Effect of Moisture on the Hydrolysis of Basic Salts

Moisture-swing sorption for carbon dioxide capture from ambient air: a thermodynamic analysis

N‐Methylanilines as Simple and Efficient Promoters for Radical‐Type Cross‐Coupling Reactions of Aryl Iodides

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