Abstract
The recently published most complete set of thermodynamical data on self- and hetero-complexation of aromatic molecules measured under comparable experimental conditions were analyzed. The main aim of this study is to get insights into contribution of various entropic factors to \(\pi \)-stacking in aqueous solution. It was found that the experimental entropy change on \(\pi \)-stacking is determined by counterbalancing effects of two principal factors, i.e., the hydrophobic interaction (positive contribution) and the loss of degrees of freedom (negative contribution) modulated by the electrostatic contribution. Other factors, including the mixing entropy contribution, were shown to be less important.
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The basic part of State order for research (N2015/702) is thanked for support. Dr. I. Laponogov (Imperial College London, UK) is thanked for helpful comments.
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Starodub, M.A., Lantushenko, A.O., Evstigneev, V.P. et al. Interrelation of Entropic Contributors to \(\pi \)-Stacking in Solution. Int J Thermophys 37, 77 (2016). https://doi.org/10.1007/s10765-016-2086-5
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DOI: https://doi.org/10.1007/s10765-016-2086-5