Hydration Energies and Reactivity of the Hypohalite Anions

2018 ◽  
Vol 57 (3) ◽  
pp. 1665-1669 ◽  
Author(s):  
David M. Stanbury
Keyword(s):  
Molecules ◽  
2021 ◽  
Vol 26 (11) ◽  
pp. 3083
Author(s):  
Wisam A. Al Isawi ◽  
Gellert Mezei

Anion binding and extraction from solutions is currently a dynamic research topic in the field of supramolecular chemistry. A particularly challenging task is the extraction of anions with large hydration energies, such as the carbonate ion. Carbonate-binding complexes are also receiving increased interest due to their relevance to atmospheric CO2 fixation. Nanojars are a class of self-assembled, supramolecular coordination complexes that have been shown to bind highly hydrophilic anions and to extract even the most hydrophilic ones, including carbonate, from water into aliphatic solvents. Here we present an expanded nanojar that is able to bind two carbonate ions, thus doubling the previously reported carbonate-binding capacity of nanojars. The new nanojar is characterized by detailed single-crystal X-ray crystallographic studies in the solid state and electrospray ionization mass spectrometric (including tandem MS/MS) studies in solution.


The difficulty of modelling ion channels in membranes due to the low electrostatic energy of small ions in aqueous solution is discussed. Models based upon ordered water cage structures are shown to provide suitable low energy binding sites which are selective both for unhydrated ionic size and valence. The barriers for motion of ions within these channels are shown to be low.


ChemPhysChem ◽  
2017 ◽  
Vol 18 (12) ◽  
pp. 1586-1596 ◽  
Author(s):  
Giuseppe Lanza ◽  
Maria A. Chiacchio

2019 ◽  
Vol 21 (34) ◽  
pp. 18706-18713 ◽  
Author(s):  
Alexander A. Voityuk ◽  
Sergei F. Vyboishchikov

A simple yet accurate method to estimate hydration free energy of neutral molecules is developed.


2020 ◽  
Vol 22 (26) ◽  
pp. 14591-14598
Author(s):  
Alexander A. Voityuk ◽  
Sergei F. Vyboishchikov

An accurate and efficient method for calculation of hydration free energy of ions and neutral molecules is presented.


The ions present in flames of H 2 +O 2 + N 2 with trace quantities of an alkaline earth M ( = Ca or Sr) added to them have been studied mass spectrometrieally. Those detected were principally MOH + and M + , the only negatively charged species being the free electron. It was established that the reaction M + +H 2 O = MOH + +H was rapid enough to be balanced everywhere in a flame. Detailed studies of (I) provided a means for measuring the concentration of hydrogen atoms at the point of sampling in the flame from observations of [M + ]/[MOH + ]. It proved possible to make absolute determinations of [H]. In addition, the ionization potentials of CaOH and SrOH were measured as 5.7 ± 0.3 and 5.4 ± 0.3 eV, which values are slightly less than those for the corresponding alkaline earth atoms. Hydrates of MOH + and M + were observed, but it was concluded that ion-hydration is not an important flame process in this case, but rather one associated with cooling of gases as they are sampled into the mass spectrometer. It appears that molecular ions hydrate in a two-body process, e. g. MOH + + H 2 O → MOH + . H 2 O with a velocity constant, which is independent of temperature and approximately 1 x 10 –10 ml molecule –1 s –1 . Atomic ions on the other hand initially undergo hydration by a slower three-body step requiring a chaperon molecule. The first hydration energies at absolute zero for CaOH + and SrOH + were measured to be 120±20 and 109±15 kJ mol –1 respectively. These exceed the corresponding quantities for Ca + and Sr + , which were found to be 75±16 and 60±16 kJ mol –1 .


1991 ◽  
Vol 182 (3-4) ◽  
pp. 363-370 ◽  
Author(s):  
Thomas F. Magnera ◽  
Donald E. David ◽  
Josef Michl
Keyword(s):  

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