Structure and dynamics of methyl groups in the deuterated microporous organic-inorganic hybrid, aluminium methylphosphonate-b

VJ Carter, J Kujanpaa, Frank Gordon Riddell, Paul Anthony Wright, JFC Turner, CRA Catlow, KS Knight

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

Abstract

Neutron powder diffraction at 4.6 K and H-2 NMR spectroscopy over the range 100-400 K have been used to examine the structure and rotational dynamics of CD3 groups pointing into the unidimensional channels of the beta-polymorph of the hybrid organic/inorganic microporous solid aluminium methylphosphonate, Al-2(CD3PO3)(3), The methyl groups rotate rapidly at all temperatures studied in the NMR experiments, with a correlation time in the fast limit of similar to 2 x 10(-13) s and with an activation energy of similar to 10 kT mol(-1). Extrapolation to 4.6 K indicates that the groups will be stationary and this is confirmed by the neutron diffraction experiment, where the lowest-energy configurations of the methylphosphonate groups are all found to have the methyl deuterons staggered with respect to the phosphonate oxygens. (C) 1999 Elsevier Science B.V. All rights reserved.

Original languageEnglish
Pages (from-to)505-513
Number of pages9
JournalChemical Physics Letters
Volume313
Publication statusPublished - 12 Nov 1999

Keywords

  • LINED UNIDIMENSIONAL CHANNELS
  • H-2 NMR
  • MOLECULAR-DYNAMICS
  • ALMEPO-ALPHA
  • INCLUSION

Fingerprint

Dive into the research topics of 'Structure and dynamics of methyl groups in the deuterated microporous organic-inorganic hybrid, aluminium methylphosphonate-b'. Together they form a unique fingerprint.

Cite this