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Title

Enthalpy-Entropy Compensation Combined with Cohesive Free-Energy Densities for Tuning the Melting Temperatures of Cyanobiphenyl Derivatives
Authors
Dutronc, Thibault
Terazzi, Emmanuel
Guenee, Laure
Buchwalder, Kerry Lee
Spoerri, Aurore
Emery, Daniel
Mareda, Jiri
Floquet, Sébastien
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Published in Chemistry. 2013, vol. 19, no. 26, p. 8447-8456
Abstract 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.
Keywords cohesive energy density — cyanobiphenyl — enthalpy–entropy compensation — intermolecular interactions — melting point
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Article (Published version) (602 Kb) - document accessible for UNIGE members only Limited access to UNIGE
Structures
Faculté des sciences / Section de chimie et biochimie / Département de chimie minérale, analytique et appliquée
Faculté des sciences / Section de chimie et biochimie / Département de chimie organique
Citation
(ISO format) 		DUTRONC, Thibault et al. Enthalpy-Entropy Compensation Combined with Cohesive Free-Energy Densities for Tuning the Melting Temperatures of Cyanobiphenyl Derivatives. In: Chemistry, 2013, vol. 19, n° 26, p. 8447-8456. doi: 10.1002/chem.201300587 https://archive-ouverte.unige.ch/unige:28610

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Deposited on : 2013-06-17

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