S5a), the classical CO2-sandwiched in-plane structure is always the most stable configuration and the disparity in energy among configurations are much bigger than that in the 1-cation-SO2 systems. Figure 5 Stable configurations of 1-cation-SO2 complexes. The name and the binding energy or ...
The results showed that with the increase of NOM loading on oxides, deviation between the MSM and NOM-CD model became bigger for PO 4 3- , but smaller for Cd 2+ and Cu 2+ . Oxyanions bind mainly to oxides and therefore the competitive effect of NOM cannot be neglected, which explains...
centered magnetic anisotropy generated by the distorted arrangement of four borohydride anions. It leads to field-induced slow magnetic relaxation, well-observed for the magnetically diluted samples, [n-Bu4N][YIII0.9DyIII0.1(BH4)4] (1@Y) and [Ph4P][YIII0.9DyIII0.1(BH4)4] (2@Y).1@Yexhi...
interactions with water compared to large cations (Cs+), and water becomes more structured around the central cation17. Smaller cations are therefore referred to as “structure makers” and bigger cations as “structure breakers”. The strong non-covalent interactions between small cations and water ...
Generally, more such pairs in the cation accumulate towards a bigger descriptor value. Cations with long alkyl chains have the largest values. Consequently, the descriptor relates to cation size and accounts for dispersion force strength in the model as well. 3.5. Comparison of Models for ...
However, the radius of the hydrated form of Mg2+ ion (4.76 Å [10,12]) is significantly larger (more than seven times) than its ionic radius (the dehydrated form), while for Na+ and La3+ ions, their hydration radii are not that much bigger than the ionic ones, approximately 2.75 ...