Direct measurement of the distance between adjacent guest molecules in a disordered solid inclusion compound using solid-state F-19-H-1 NMR spectroscopy

A Nordon, E Hughes, R K Harris, L Yeo, K D M Harris

Research output: Contribution to journalArticle

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Abstract

Three solid-state NMR techniques have been used to determine the effective average intermolecular F-19,F-19 dipolar interaction, [D'], between fluorine nuclei in neighbouring guest molecules in the 1,10-difluorodecane/urea inclusion compound using a static sample. An MREV8 pulse sequence was used to isolate the shielding powder pattern. A Carr-Purcell-Meiboom-Gill experiment was employed to obtain the dipolar powder pattern. To confirm the results, the full powder pattern influenced by both interactions was obtained and simulated by computer. In all experiments efficient proton decoupling was used. The value of [D'] obtained is 1.01 kHz. This is discussed in relation to the conformations and mutual orientation of the end-groups of the guest molecules. The result is consistent with random distribution over all mutual orientations of the gauche-gauche and gauche-trans situations, with little or no population in the trans-trans form. 

LanguageEnglish
Pages25-29
Number of pages5
JournalChemical Physics Letters
Volume289
Issue number1-2
DOIs
Publication statusPublished - 5 Jun 1998

Fingerprint

Powders
Nuclear magnetic resonance spectroscopy
inclusions
solid state
nuclear magnetic resonance
Molecules
spectroscopy
molecules
Fluorine
statistical distributions
ureas
Crystal orientation
Shielding
decoupling
shielding
fluorine
Conformations
Urea
Protons
Experiments

Keywords

  • magnetic-resonance
  • urea
  • relaxation
  • NMR spectroscopy

Cite this

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abstract = "Three solid-state NMR techniques have been used to determine the effective average intermolecular F-19,F-19 dipolar interaction, [D'], between fluorine nuclei in neighbouring guest molecules in the 1,10-difluorodecane/urea inclusion compound using a static sample. An MREV8 pulse sequence was used to isolate the shielding powder pattern. A Carr-Purcell-Meiboom-Gill experiment was employed to obtain the dipolar powder pattern. To confirm the results, the full powder pattern influenced by both interactions was obtained and simulated by computer. In all experiments efficient proton decoupling was used. The value of [D'] obtained is 1.01 kHz. This is discussed in relation to the conformations and mutual orientation of the end-groups of the guest molecules. The result is consistent with random distribution over all mutual orientations of the gauche-gauche and gauche-trans situations, with little or no population in the trans-trans form. ",
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Direct measurement of the distance between adjacent guest molecules in a disordered solid inclusion compound using solid-state F-19-H-1 NMR spectroscopy. / Nordon, A ; Hughes, E ; Harris, R K ; Yeo, L ; Harris, K D M .

In: Chemical Physics Letters, Vol. 289, No. 1-2, 05.06.1998, p. 25-29.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Direct measurement of the distance between adjacent guest molecules in a disordered solid inclusion compound using solid-state F-19-H-1 NMR spectroscopy

AU - Nordon, A

AU - Hughes, E

AU - Harris, R K

AU - Yeo, L

AU - Harris, K D M

PY - 1998/6/5

Y1 - 1998/6/5

N2 - Three solid-state NMR techniques have been used to determine the effective average intermolecular F-19,F-19 dipolar interaction, [D'], between fluorine nuclei in neighbouring guest molecules in the 1,10-difluorodecane/urea inclusion compound using a static sample. An MREV8 pulse sequence was used to isolate the shielding powder pattern. A Carr-Purcell-Meiboom-Gill experiment was employed to obtain the dipolar powder pattern. To confirm the results, the full powder pattern influenced by both interactions was obtained and simulated by computer. In all experiments efficient proton decoupling was used. The value of [D'] obtained is 1.01 kHz. This is discussed in relation to the conformations and mutual orientation of the end-groups of the guest molecules. The result is consistent with random distribution over all mutual orientations of the gauche-gauche and gauche-trans situations, with little or no population in the trans-trans form. 

AB - Three solid-state NMR techniques have been used to determine the effective average intermolecular F-19,F-19 dipolar interaction, [D'], between fluorine nuclei in neighbouring guest molecules in the 1,10-difluorodecane/urea inclusion compound using a static sample. An MREV8 pulse sequence was used to isolate the shielding powder pattern. A Carr-Purcell-Meiboom-Gill experiment was employed to obtain the dipolar powder pattern. To confirm the results, the full powder pattern influenced by both interactions was obtained and simulated by computer. In all experiments efficient proton decoupling was used. The value of [D'] obtained is 1.01 kHz. This is discussed in relation to the conformations and mutual orientation of the end-groups of the guest molecules. The result is consistent with random distribution over all mutual orientations of the gauche-gauche and gauche-trans situations, with little or no population in the trans-trans form. 

KW - magnetic-resonance

KW - urea

KW - relaxation

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SN - 0009-2614

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