DOI > 10.5291/ILL-DATA.6-02-587

This proposal is publicly available since 10/24/2023

Title

Contribution of intramolecular motions to the global molecular dynamics of cumene

Abstract

Cumene (isopropyl benzene) has been studied with various different techniques on different timescales in a large part of the (T,P)-phase diagram and has shown astonishingly simple dynamic behaviour. The proposed experiment aims to find and study the contribution of intramolecular motions to cumene's global molecular dynamics, containing center-of-mass translation, whole-molecule libration and rotation - both controlled by van der Waals potentials, and methyl-group rotation and libration - controlled by internal molecular potentials, using partly deuterated samples to complement previous studies on fully protonated cumene and additionally, fully deuterated cumene to obtain insight into the collective dynamics.

Experimental Report

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Data Citation

The recommended format for citing this dataset in a research publication is in the following format:

HANSEN Henriette Wase; Bernhard Frick; MANGIN-THRO Lucile and Kristine Niss. (2018). Contribution of intramolecular motions to the global molecular dynamics of cumene. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-02-587

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Metadata

Experiment Parameters

Sample Parameters

  • Formula

    • d12-cumene (C9D12)
    • d7-cumene (C6H5CD(CD3)2 )
    • Cumene (C9H12)