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

Article Article scientifique Article Enthalpy-Entropy Compensation Combined with Cohesive Free-Energy Densities for Tuning the Melting Temperatures of Cyanobiphenyl Derivatives eng 2013 author Dutronc Thibault 735152 author Terazzi Emmanuel 542859 author Guenee Laure 115015 author Buchwalder Kerry Lee 633817 author Spoerri Aurore 733675 author Emery Daniel 550680 author Mareda Jiri 24767 author Floquet Sébastien 546284 author Piguet Claude 0000-0001-7064-8548 22415 8447-8456 10.1002/chem.201300587 0947-6539 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. cohesive energy density cyanobiphenyl enthalpy–entropy compensation intermolecular interactions melting point Dewey 540 36 Département de chimie organique 141 40 Département de chimie minérale, analytique et appliquée 145 false Chemistry 19 26 e9ed9925-e217-4d37-ba95-c9b9bf96fb99 Article (Published version) Restricted 8447_ftp.pdf 615951 application/pdf restrictedAccess Faculté des sciences / Section de chimie et biochimie / Département de chimie organique Faculté des sciences / Section de chimie et biochimie / Département de chimie minérale, analytique et appliquée

Title	Published in	Access level	OA Policy	Year	Views	Downloads

Enthalpy-Entropy Compensation Combined with Cohesive Free-Energy Densities for Tuning the Melting Temperatures of Cyanobiphenyl Derivatives	Chemistry			2013	737	6

Archive ouverte UNIGE

Spoerri, Aurore