Principal and independent components analysis of overlapping spectra in the context of multichannel time-resolved absorption spectroscopy

The separation of overlapping absorption spectra in the context of multichannel time-resolved absorption spectroscopy and chemical kinetics is a particular case in the general problem of splitting the observed data into several linear components. Here, principal and independent components analysis a...

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Detalles Bibliográficos
Autores: Gómez Martín, Juan Carlos, Spietz, Peter, Orphal, Johannes, Burrows, John P.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2004
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/343459
Acceso en línea:http://hdl.handle.net/10261/343459
Access Level:acceso abierto
Palabra clave:Multichannel time-resolved absorption spectroscopy
Chemistry of ozone and iodine
Overlapping molecular spectra
Principal components analysis
Independent components analysis
Descripción
Sumario:The separation of overlapping absorption spectra in the context of multichannel time-resolved absorption spectroscopy and chemical kinetics is a particular case in the general problem of splitting the observed data into several linear components. Here, principal and independent components analysis are applied to kinetic data of iodine-ozone chemistry, which contains overlapping spectra of different absorbers. The objective of this work is to demonstrate a method which in spite of this overlap is able to extract separated time traces of such absorbers. These time traces are clearly a pre-requisite for any further accurate quantitative analysis. The statistical properties of data recordings obtained from flash photolysis of I-2 and O-3 have been studied to check if the requirements of the model are fulfilled. Results of separation in appropriate spectral windows displaying overlapped vibrational features are presented. Validation is made using prior information and conventional techniques. (C) 2003 Elsevier B.V. All rights reserved.