Molecular Models of Orientational Order

Abstract

This book is dedicated to our dear wives Bonnie and Annette who put up with the many hours and late evenings, not to mention the early mornings, spent discussing and arguing about the various details of this project Contents

Dyes for guest–host liquid crystal applications: a general approach to the rapid computational assessment of useful molecular designs

“…The orienting potential may also be expressed by eqn (8) in terms of the second-rank Wigner functions, D 2 0,n (b,g), and the spherical components, T 2,n , of a second-rank surface tensor defined by eqn (9), where a 0 and b 0 are Euler angles describing the rotation from the molecular frame to the orientation of each surface normal. 39,40…”

“…38 The orienting potential may also be expressed by eqn (8) in terms of the second-rank Wigner functions, D 2 0, n ( β , γ ), and the spherical components, T 2, n , of a second-rank surface tensor defined by eqn (9), where α ′ and β ′ are Euler angles describing the rotation from the molecular frame to the orientation of each surface normal. 39,40 Eqn (8) may be expanded and simplified to give eqn (10), which provides an expression for the orientational energy of a molecule, and hence its order parameters, from a defined molecular surface. The surface tensor model has proved effective at replicating the orientational order parameters of a range of molecules dissolved in liquid-crystalline hosts, providing confidence in the validity in the assumptions inherent to the model.…”