While ice has very low solubility for salts compared to water, small amounts of ions are doped into ice crystals. These small ion dopants can alter the fundamental physical and chemical properties of ice, such as the structure and electrical conductivity. Thus, these results could have direct impact on chemical reactivity of ice and ice surfaces. Here, we examine the influence of the uptake of three salts - ammonium chloride (NH4Cl), sodium chloride (NaCl), and ammonium sulfate [(NH4)2SO4] - in ice Ih formation using capillary electrophoresis (CE). By using both cation and anion modes, we observed and quantified the uptake of individual ions into the ice. Our results indicate that anions have a higher propensity for uptake into ice Ih crystals.
Weakly-bound complexes containing aromatic species have been the subject of study for many years. Here, a study of the weakly-bound complexes of selenophene (C 4 H 4 Se) with water will be presented. In this study, matrix isolation FTIR and computational methods were used to examine stable 1:1 complexes of selenophene : water (Sp:H 2 O). Multiple density functional theories along with MP2 calculations were used to find a total of seven stable geometries which could be sorted into four categories defined by the intermolecular forces observed in the complex. The interactions include O−HThe Sp:H 2 O geometries were found to be within 16 kJ/mol of each other across all computational methods. All calculated structures were similar to those found for complexes of furan : water and thiophene: water. Matrix isolation FTIR experiments identified several peaks that were not associated with isolated water or selenophene, implying the bands are due to weakly-bound complexes of the two monomers. In addition to normal water, D 2 O and HDO complexes with selenophene were also observed. Possible interpretations of the experimental and computational results will be presented.
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