Heteronuclear editing method for detecting NOE between chemically equivalent protons: Application to polycyclic aromatic hydrocarbons

Roy E. Hoffman, Roy Shenhar, Itamar Willner, Hindy E. Bronstein, Lawrence T. Scott, Andrzej Rajca, Mordecai Rabinovitz

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

The complete characterization of polycyclic aromatic hydrocarbons (PAHs) and tetrasubstituted ethylenes is critical to an understanding of their reactivity, for which NMR is an important tool. Chemical shifts can provide a direct measure of charge distribution and aromaticity. Unfortunately, COSY, NOESY and heteronuclear correlation cannot provide a complete assignment of the NMR spectra for some carbon-rich PAHs with symmetrical bay regions. The protons in the bay regions would yield NOE signals if they were not symmetrical. Natural substitution of 12C with 13C can be used to break the symmetry and yield these useful NOE signals. Using gradient-assisted editing, unequivocal assignments have been achieved for some previously problematic molecules.

Original languageEnglish (US)
Pages (from-to)311-314
Number of pages4
JournalMagnetic Resonance in Chemistry
Volume38
Issue number4
DOIs
StatePublished - Apr 2000

Fingerprint

editing
Polycyclic Aromatic Hydrocarbons
polycyclic aromatic hydrocarbons
Polycyclic aromatic hydrocarbons
Protons
Ethylenes
Nuclear magnetic resonance
nuclear magnetic resonance
protons
Charge distribution
Chemical shift
charge distribution
chemical equilibrium
Ethylene
ethylene
Substitution reactions
Carbon
reactivity
substitutes
gradients

Keywords

  • Assignment of symmetrical polycycles
  • C NMR
  • H NMR
  • NMR
  • NOE; polycyclic aromatic hydrocarbons

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

Cite this

Heteronuclear editing method for detecting NOE between chemically equivalent protons : Application to polycyclic aromatic hydrocarbons. / Hoffman, Roy E.; Shenhar, Roy; Willner, Itamar; Bronstein, Hindy E.; Scott, Lawrence T.; Rajca, Andrzej; Rabinovitz, Mordecai.

In: Magnetic Resonance in Chemistry, Vol. 38, No. 4, 04.2000, p. 311-314.

Research output: Contribution to journalArticle

Hoffman, Roy E. ; Shenhar, Roy ; Willner, Itamar ; Bronstein, Hindy E. ; Scott, Lawrence T. ; Rajca, Andrzej ; Rabinovitz, Mordecai. / Heteronuclear editing method for detecting NOE between chemically equivalent protons : Application to polycyclic aromatic hydrocarbons. In: Magnetic Resonance in Chemistry. 2000 ; Vol. 38, No. 4. pp. 311-314.
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