关键词: enthalpy-entropy compensation hydration heat capacity hydrophobicity negative entropy ordered structures

来  源:   DOI:10.1002/cphc.202400102

Abstract:
The poor solubility of nonpolar compounds in water around room temperature is governed by a large and negative entropy change, whose molecular cause is still debated. Since the Frank and Evans original proposal in 1945, the large and negative entropy change is usually attributed to the formation of ordered structures in the hydration shell of nonpolar groups. However, the existence of such ordered structures has never been proven. The present study is aimed at providing available structural results and thermodynamic arguments disproving the existence of ordered structures in the hydration shell of nonpolar groups.
摘要:
非极性化合物在室温下在水中的溶解性差是由大的负熵变化控制的,其分子原因仍在争论中。自1945年Frank和Evans提出原始建议以来,大的和负的熵变化通常归因于非极性基团的水合壳中有序结构的形成。然而,这种有序结构的存在从未被证明。本研究旨在提供可用的结构结果和热力学论点,以证明非极性基团的水合壳中有序结构的存在。
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