Successful predictions of the residual motion of weakly associated species as a function of the bonding between them

被引:44
作者
Westwell, MS [1 ]
Searle, MS [1 ]
Klein, J [1 ]
Williams, DH [1 ]
机构
[1] UNIV CAMBRIDGE, CHEM LAB, CAMBRIDGE CTR MOL RECOGNIT, CAMBRIDGE CB2 1EW, ENGLAND
关键词
D O I
10.1021/jp961361x
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We demonstrate the utility of a specific form of a relationship between the bonding (enthalpy change) and restriction in motion (entropy change) for weak associations. This utility is illustrated through an analysis of a collection of thermodynamic data for the interaction of macrocycles with neutral molecules (both in most cases with limited abilities to change their internal motions) in nonpolar media. By inspection of the data in comparison to the trend that would be expected from this enthalpy/entropy compensation curve, we have successfully identified those points that either represent mistakes in transcription of data from the original or incorrect measurements or in the context of the discussion must be represented as associations rather than dissociations.
引用
收藏
页码:16000 / 16001
页数:2
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