Structure and order in partially oriented solids: Characterization by 2D-magic-angle-spinning NMR

Gerard S. Harbison, Veit Dieter Vogt, Hans W. Spiess

Research output: Contribution to journalArticle

103 Citations (Scopus)

Abstract

Theory and applications of a new 2D-NMR technique for characterizing the molecular structure and order of partially oriented solids are described. After deriving a general expression for the signal intensities in two dimensions in cases of perfect order, the influence of disorder on the spectra is discussed. It is demonstrated that an expansion of the orientational distribution function in terms of Wigner rotation matrices allows spectra from residues with an arbitrary degree of order and arbitrary chemical shielding tensor orientation to be fully characterized. The technique is illustrated by obtaining the orientational distribution function for the crystalline and amorphous regions in semicrystalline polyethylene terephthalate, showing that the molecular orientation is quite different in the two phases.

Original languageEnglish (US)
Pages (from-to)1206-1218
Number of pages13
JournalThe Journal of Chemical Physics
Volume86
Issue number3
DOIs
StatePublished - Jan 1 1987

Fingerprint

Magic angle spinning
metal spinning
Distribution functions
distribution functions
Nuclear magnetic resonance
nuclear magnetic resonance
Polyethylene Terephthalates
Molecular orientation
polyethylene terephthalate
Shielding
Molecular structure
Tensors
shielding
molecular structure
disorders
tensors
Crystalline materials
expansion
matrices

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Structure and order in partially oriented solids : Characterization by 2D-magic-angle-spinning NMR. / Harbison, Gerard S.; Vogt, Veit Dieter; Spiess, Hans W.

In: The Journal of Chemical Physics, Vol. 86, No. 3, 01.01.1987, p. 1206-1218.

Research output: Contribution to journalArticle

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