13C-NMR chemical shift databases as a quick tool to evaluate structural models of humic substances

Christian Nyrop Albers, Poul Erik Hansen

Research output: Contribution to journalArticleResearchpeer-review

10 Citations (Scopus)

Abstract

Models for humic and fulvic acids are discussed based on 13C liquid state NMR spectra combined with results from elemental analysis and titration studies. The analysis of NMR spectra is based on a full reconstruction of the NMR spectrum done with help of 13C-NMR data bases by adding up chemical shifts of all substructures from the proposed models. A full reconstruction makes sure that all carbons are accounted for and enables on the negative side to discuss structural elements identified from recorded spectra of humic substances that cannot be observed in the simulated spectrum. On the positive side missing structural elements in the models can be suggested. A number of proposed structures for humic and fulvic acids are discussed based on the above analysis.

Original languageEnglish
Pages (from-to)96-105
Number of pages10
JournalThe Open Magnetic Resonance Journal
Volume3
DOIs
Publication statusPublished - 2010

Keywords

  • Fulvic acid
  • Humic acid
  • Spectral reconstruction

Programme Area

  • Programme Area 2: Water Resources

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