English

Dynamics of hydrogen guests in ice XVII nanopores

Other Condensed Matter 2017-12-06 v2 Chemical Physics

Abstract

The present high-resolution inelastic neutron scattering experiment on ice XVII, containing molecular hydrogen with different ortho/para ratio, allows to assign the H2_2 motion spectral bands to rotational and center-of-mass translational transitions of either {\it para}- or {\it ortho}-H2_2. Due to its structure, ice XVII confines H2_2 molecules to move in spiral channels of molecular size. Reported data demonstrate that H2_2 molecules rotate almost freely in these nanometric channels, though showing larger perturbation than in clathrate hydrates, and perform a translational motion exhibiting two low frequency excitations. The good agreement between experimental spectra and corresponding molecular dynamics results clearly enables to portray a picture of the confined motions of a hydrophobic guest within a metastable ice framework, i.e. ice XVII.

Keywords

Cite

@article{arxiv.1706.09350,
  title  = {Dynamics of hydrogen guests in ice XVII nanopores},
  author = {Leonardo del Rosso and Milva Celli and Daniele Colognesi and Svemir Rudic and Niall J. English and Christian J. Burnham and Lorenzo Ulivi},
  journal= {arXiv preprint arXiv:1706.09350},
  year   = {2017}
}

Comments

5 pages, 4 figures