Methods and methodology for FTIR spectral correction of channel spectra and uncertainty, applied to ferrocene.

Autor: Islam MT; School of Physics, University of Melbourne, Parkville, Vic3010, Australia; School of Chemistry, University of Melbourne, Parkville, Vic3010, Australia., Trevorah RM; School of Physics, University of Melbourne, Parkville, Vic3010, Australia., Appadoo DRT; Australian Synchrotron, 800 Blackburn Rd., Clayton, Vic3168, Australia., Best SP; School of Chemistry, University of Melbourne, Parkville, Vic3010, Australia., Chantler CT; School of Physics, University of Melbourne, Parkville, Vic3010, Australia. Electronic address: chantler@unimelb.edu.au.
Jazyk: angličtina
Zdroj: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy [Spectrochim Acta A Mol Biomol Spectrosc] 2017 Apr 15; Vol. 177, pp. 86-92. Date of Electronic Publication: 2017 Jan 21.
DOI: 10.1016/j.saa.2017.01.036
Abstrakt: We present methodology for the first FTIR measurements of ferrocene using dilute wax solutions for dispersion and to preserve non-crystallinity; a new method for removal of channel spectra interference for high quality data; and a consistent approach for the robust estimation of a defined uncertainty for advanced structural χ r 2 analysis and mathematical hypothesis testing. While some of these issues have been investigated previously, the combination of novel approaches gives markedly improved results. Methods for addressing these in the presence of a modest signal and how to quantify the quality of the data irrespective of preprocessing for subsequent hypothesis testing are applied to the FTIR spectra of Ferrocene (Fc) and deuterated ferrocene (dFc, Fc-d 10 ) collected at the THz/Far-IR beam-line of the Australian Synchrotron at operating temperatures of 7K through 353K.
(Copyright © 2017 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
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