The rotational-conformational distribution of 2,2′-bithienyl in liquid crystals

Abstract

We have investigated the distribution of conformations and orientations for a simple internal rotor molecule, 2,2′-bithienyl dissolved in liquid crystal solvents, by re-analysing published proton dipolar coupling data with the maximum entropy internal order method (MEIO). We show that detailed, model independent, conformational information can be obtained when data of sufficiently high quality are available. We also propose a novel and convenient representation method for the orientational-conformational coupling.