Line shapes in CP/MAS 13C NMR spectra of cellulose I
2005 (English)In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 62, no 1-3, 539-46 p.Article in journal (Refereed) Published
The CP/MAS 13C NMR line shape of cellulose I has been qualitatively analyzed by direct simulations using the Ornstein–Uhlenbeck stochastic process and the Kubo model. Both approaches describe a anhydroglucose C4 carbon as a oscillator with fluctuating Larmor frequency. The NMR resonance frequency is written , where the fluctuating part with zero mean was modelled as a stationary Markov diffusion process.
The simulation results both motivates the use of multiple line shapes when fitting CP/MAS 13C NMR spectra recorded on cellulose I and gives some insights into why signals from crystalline cellulose I give rise to Lorentzian line shapes.
Place, publisher, year, edition, pages
2005. Vol. 62, no 1-3, 539-46 p.
CP/MAS 13C NMR, Spectral line shape analysis, Cellulose I
IdentifiersURN: urn:nbn:se:umu:diva-14676DOI: doi:10.1016/j.saa.2005.01.021OAI: oai:DiVA.org:umu-14676DiVA: diva2:154348