Thermal hysteresis in dithiadiazolyl and dithiazolyl radicals induced by supercooling of paramagnetic liquids close to room temperature: a study of F3CC???NSSN??? and an interpretation of the behaviour of F3CC???SNSC???CF3Electronic supplementary information (ESI) available: Synthesis of 1; packing diagrams of 1 and 2; ab initio calculations on the association modes of 1 and 2; estimates of the energy of association of 2 based on a simple electrostatic model; molecular electrostatic potential maps of 1 and 2 and a comparison of the charge distribution in 1 and 2 from semi-empirical and ab initio calculations; curve-fits of the magnetic data of 1 utilising a Curie???Weiss, exchange-coupled dimer and monomer???dimer equilibrium models for the
Du, Hongbin, Haddon, Robert C., Krossing, Ingo, Passmore, Jack, Rawson, Jeremy M., Schriver, Melbourne J.Language:
english
Journal:
Chemical Communications
DOI:
10.1039/b202627a
Date:
August, 2002
File:
PDF, 116 KB
english, 2002