Publication detail

Structure of arsenic selenide glasses by Raman and Se-77 NMR with a multivariate curve resolution approach

Year: 2016

Type of publication: článek v odborném periodiku

Name of source: Journal of Non-Crystalline Solids

Page from-to: 322-328

Titles:

Language	Name	Abstract	Keywords
cze	Struktura sklel na bázi arsenidu selenitého studovaná Ramanovou spektroskopií a 77Se NMR s použitím MCR analýzy	Struktura skel na bázi As-Se byla studována pomocí Ramanovy a 77Se MAS NMR spektroskopie. Experimentální spektra byla analyzována pomocí MCR chemometrické analýzy.	As-Se sklo; Raman spektroskopie; Se-77 NMR; Chemometrie
eng	Structure of arsenic selenide glasses by Raman and Se-77 NMR with a multivariate curve resolution approach	Solid state NMR and Raman data are usually reconstructed using devoted software. Most of the time the experimental results need to be compared to structural model obtained, for example, by Molecular Dynamics. This procedure is sophisticated, relies on a network of specialized skills, and is time consuming. In this paper, it is shown that chemometric unsupervised method also provide interesting quick information from badly resolved experimental data. In particular, taking the AsxSe1-x glassy system as example, it is shown that Correlation maps and Multivariate Curve Resolution carried out from 77Se NMR and Raman spectra enable to get spectral reconstruction which corroborates previous works. These methods help also at assigning the Raman lines to some vibration modes.	As-Se glass; Raman spectroscopy; Se-77 NMR; Chemometry

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