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Enthalpy-Entropy Compensation Combined with Cohesive Free-Energy Densities for Tuning the Melting Temperatures of Cyanobiphenyl Derivatives.

著者 Dutronc T , Terazzi E , Guénée L , Buchwalder KL , Spoerri A , Emery D , Mareda J , Floquet S , Piguet C
Chemistry.2013 May 21 ; ():.
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Department of Inorganic and Analytical Chemistry, University of Geneva, 30 quai E. Ansermet, 1211 Geneva 4 (Switzerland).

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This work illustrates how minor structural perturbations produced by methylation of 4'-(dodecyloxy)-4-cyanobiphenyl leads to enthalpy-entropy compensation for their melting processes, a trend which can be analyzed within the frame of a simple intermolecular cohesive model. The transformation of the melting thermodynamic parameters collected at variable temperatures into cohesive free-energy densities expressed at a common reference temperature results in a novel linear correlation, from which melting temperatures can be simply predicted from molecular volumes.
PMID: 23696067 [PubMed - as supplied by publisher]
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