Hydride ions in oxide hosts hidden by hydroxide ions
نویسندگان
چکیده
منابع مشابه
Hydride ions in oxide hosts hidden by hydroxide ions
The true oxidation state of formally 'H(-)' ions incorporated in an oxide host is frequently discussed in connection with chemical shifts of (1)H nuclear magnetic resonance spectroscopy, as they can exhibit values typically attributed to H(+). Here we systematically investigate the link between geometrical structure and chemical shift of H(-) ions in an oxide host, mayenite, with a combination ...
متن کاملOn the recombination of hydronium and hydroxide ions in water.
The recombination of hydronium and hydroxide ions following water ionization is one of the most fundamental processes determining the pH of water. The neutralization step once the solvated ions are in close proximity is phenomenologically understood to be fast, but the molecular mechanism has not been directly probed by experiments. We elucidate the mechanism of recombination in liquid water wi...
متن کاملOxygen exchange in uranyl hydroxide via two "nonclassical" ions.
A recently proposed pathway for the scrambling of axial (uranyl) and equatorial O atoms in [UO(2)(OH)(4)](2-) (1) is refined using Car-Parrinello molecular dynamics (CPMD) simulations in an explicit solvent (water) and with model counterions (NH(4)(+)). According to constrained CPMD/BLYP simulations and thermodynamic integration, 1 can be deprotonated to [UO(3)(OH)(3)](3-) with a T-shaped UO(3)...
متن کاملSegregation of hydroxide ions to an ice surface.
Hydroxide ions that are initially buried within an ice film segregate to the ice film surface at elevated temperatures. This process was observed by conducting experiments with an ice film constructed with a bottom H(2)O layer and an upper D(2)O layer, with an excess of hydroxide ions trapped at the H(2)O/D(2)O interface as they were generated by Na hydrolysis. The transport of hydroxide ions f...
متن کاملUnique hydrogen-bonded complex of hydronium and hydroxide ions.
H3 O(+) and OH(-) , formed by the self-ionization of two coordinating water molecules during the crystal growing of a host molecule [1,3,5-tris(hydroxymethyl)2,4,6-triethylbenzene (1)], could be effectively stabilized by hydrogen-bonding interactions with the preorganized hydroxy groups of three molecules of 1. The binding motifs observed in the complex (1)3 ⋅H3 O(+) ⋅HO(-) show remarkable simi...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Nature Communications
سال: 2014
ISSN: 2041-1723
DOI: 10.1038/ncomms4515