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Effect of Ammonia on the Gas-Phase Hydration of the Common Atmospheric Ion HSO4-
Atmospheric Sciences Research Center, State University of New York at Albany, 251 Fuller Rd., Albany 12203, NY, USA
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Received: 23 May 2008; in revised form: 20 October 2008 / Accepted: 23 October 2008 / Published: 7 November 2008
Abstract: Hydration directly affects the mobility, thermodynamic properties, lifetime and nucleation rates of atmospheric ions. In the present study, the role of ammonia on the formation of hydrogen bonded complexes of the common atmospheric hydrogensulfate (HSO4-) ion with water has been investigated using the Density Functional Theory (DFT). Our findings rule out the stabilizing effect of ammonia on the formation of negatively charged cluster hydrates and show clearly that the conventional (classical) treatment of ionic clusters as presumably more stable compared to neutrals may not be applicable to pre-nucleation clusters. These considerations lead us to conclude that not only quantitative but also qualitative assessment of the relative thermodynamic stability of atmospheric clusters requires a quantum-chemical treatment.
Keywords: Nucleation precursors; sulfuric acid; ammonia; hydration thermochemistry; ion-mediated nucleation
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Nadykto, A.B.; Yu, F.; Herb, J. Effect of Ammonia on the Gas-Phase Hydration of the Common Atmospheric Ion HSO4-. Int. J. Mol. Sci. 2008, 9, 2184-2193.
Nadykto AB, Yu F, Herb J. Effect of Ammonia on the Gas-Phase Hydration of the Common Atmospheric Ion HSO4-. International Journal of Molecular Sciences. 2008; 9(11):2184-2193.
Nadykto, Alexey B.; Yu, Fangqun; Herb, Jason. 2008. "Effect of Ammonia on the Gas-Phase Hydration of the Common Atmospheric Ion HSO4-." Int. J. Mol. Sci. 9, no. 11: 2184-2193.