[PDF][PDF] Prediction from molecular shape of solute orientational order in liquid crystals

EE Burnell, CA De Lange - Chemical reviews, 1998 - academia.edu
Liquid crystals represent a very interesting state of matter because they show anisotropic
properties normally found in solids, in combination with a degree of fluidity characteristic of …

2H-NMR Spectroscopy of Solids and Liquid Crystals

GL Hoatson, RL Vold - Solid-State NMR III Organic Matter, 1994 - Springer
Abstract Deuteron Magnetic Resonance spectroscopy (2 H-NMR) is an extremely powerful
technique for investigating molecular structure and dynamics. This aticle covers the last five …

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

MT Sims, LC Abbott, RJ Mandle, JW Goodby… - Physical Chemistry …, 2023 - pubs.rsc.org
A set of experimental dichroic order parameters ranging from ca.+ 0.66 to− 0.22 was
obtained by recording polarized UV-visible absorption spectra from aligned samples of …

Prediction of the transitional properties of liquid crystal dimers. A molecular field calculation based on the surface tensor parametrization

A Ferrarini, GR Luckhurst, PL Nordio… - The Journal of chemical …, 1994 - pubs.aip.org
The transitional properties of the liquid crystal dimers formed by two mesogenic groups
linked by a flexible chain exhibit a pronounced dependence on the number of atoms in the …

Principal molecular axis and transition dipole moment orientations in liquid crystal systems: an assessment based on studies of guest anthraquinone dyes in a nematic …

MT Sims, LC Abbott, SJ Cowling, JW Goodby… - Physical Chemistry …, 2017 - pubs.rsc.org
An assessment of five different definitions of the principal molecular axis along which
molecules align in a nematic liquid crystal system has been made by analysing fully …

A theoretical model of solvation in continuum anisotropic dielectrics

B Mennucci, M Cossi, J Tomasi - The Journal of chemical physics, 1995 - pubs.aip.org
A new formulation of the polarizable continuum method (PCM) is presented to describe the
electrostatic interaction between molecular solutes and anisotropic media (eg, liquid …

A simplified approach to molecular dynamics simulations of liquid crystals with atom–atom potentials

CW Cross, BM Fung - The Journal of chemical physics, 1994 - pubs.aip.org
Molecular dynamics simulations have been performed for the nematic liquid crystal 4‐n‐
pentyl‐4′‐cyanobiphenyl (5CB) using a realistic atom–atom potential as well as a …

Recent NMR studies of thermotropic liquid crystals

RY Dong - Annual reports on NMR spectroscopy, 2016 - Elsevier
Solid state NMR pulse techniques have been found most useful to elucidate order and
dynamics of molecules of various shapes which can self-assemble into ordered fluids. This …

Conformational equilibrium and orientational ordering: 1H‐nuclear magnetic resonance of butane in a nematic liquid crystal

JM Polson, EE Burnell - The Journal of chemical physics, 1995 - pubs.aip.org
In this study we use multiple‐quantum 1H‐NMR spectroscopy to study butane, the simplest
flexible alkane, dissolved in a nematic solvent. An analysis of the highly accurate 1H dipolar …

Negative fluorescence anisotropy of phosphole oxide-based dyes in nematic liquid crystals

T Ohzono, T Yatabe, C Wang, A Fukazawa… - Communications …, 2018 - nature.com
It is important to understand how solute molecules align in anisotropic media such as liquid
crystals and biological membranes. Alignment of fluorescent probes used in polarised …