Methods and methodology for FTIR spectral correction of channel spectra and uncertainty, applied to ferrocene.
Spectrochim Acta A Mol Biomol Spectrosc
; 177: 86-92, 2017 Apr 15.
Article
em En
| MEDLINE
| ID: mdl-28129578
ABSTRACT
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 χr2 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-d10) collected at the THz/Far-IR beam-line of the Australian Synchrotron at operating temperatures of 7K through 353K.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Spectrochim Acta A Mol Biomol Spectrosc
Assunto da revista:
BIOLOGIA MOLECULAR
Ano de publicação:
2017
Tipo de documento:
Article
País de afiliação:
Austrália