Molecular Hydrogens Dissolved in Liquid Crystals

NMR of orientationally ordered short-chain hydrocarbons

“…With quadrupolar couplings difficulties arose. However, in our previous studies on the hydrogens [25,30] it was found that a liquid-crystal solvent possessed a nonzero efg that interacted with the molecular quadrupole moment Q mol and provided the dominant orientation mechanism for the hydrogens.…”

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

“…43,44 Of the systems that are not well described by shape alone, perhaps the most notable are small solute molecules such as molecular hydrogen and its isotopologues, and acetylene, which have been shown to exhibit order parameters of opposite signs in hosts of different dielectric anisotropies. [45][46][47] Long-range interactions giving rise to such effects have been the subject of debate, but they are primarily attributed to electrostatic interactions between a guest molecule and the host molecules, and are commonly considered in terms of a multipole expansion of the molecular charge distribution. This treatment of electrostatic interactions gives rise to additional terms in the expression for the orienting potential, the first three terms being interactions between molecular charges, dipoles and quadrupoles with effective potentials, fields and field gradients, respectively, arising from the host molecules.…”