FESTA: an efficient NMR approach for the structural analysis of mixtures containing fluorinated species

Laura Castanar Acedo; Pinelopi Moutzouri; Thais M Barbosa; Claudio F. Tormena; Roberto Rittner; Andrew R. Phillips; Steven R.  Coombes; Mathias Nilsson; Gareth Morris

doi:10.1021/acs.analchem.8b00753

FESTA: an efficient NMR approach for the structural analysis of mixtures containing fluorinated species

Laura Castanar Acedo, Pinelopi Moutzouri, Thais M Barbosa, Claudio F. Tormena, Roberto Rittner, Andrew R. Phillips, Steven R. Coombes, Mathias Nilsson, Gareth Morris

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Abstract

In complex mixtures, proton NMR spectra are often very crowded, making spectral analysis complicated or even impossible, particularly when detailed structural information about the mixture components is needed. A new 1D NMR method (Fluorine-Edited Selective TOCSY Acquisition, FESTA) is introduced that facilitates the structural analysis of mixtures of species that contain fluorine. It allows simplified 1H spectra to be obtained that show only those protons that are in a spin system coupled to fluorine of interest. The new method is illustrated by factorizing a complex 1H spectrum into subspectra for individual spin systems involving different 19F sites.

Original language	English
Journal	Analytical Chemistry
Early online date	26 Mar 2018
DOIs	https://doi.org/10.1021/acs.analchem.8b00753
Publication status	Published - 2018

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title = "FESTA: an efficient NMR approach for the structural analysis of mixtures containing fluorinated species",

abstract = "In complex mixtures, proton NMR spectra are often very crowded, making spectral analysis complicated or even impossible, particularly when detailed structural information about the mixture components is needed. A new 1D NMR method (Fluorine-Edited Selective TOCSY Acquisition, FESTA) is introduced that facilitates the structural analysis of mixtures of species that contain fluorine. It allows simplified 1H spectra to be obtained that show only those protons that are in a spin system coupled to fluorine of interest. The new method is illustrated by factorizing a complex 1H spectrum into subspectra for individual spin systems involving different 19F sites.",

author = "{Castanar Acedo}, Laura and Pinelopi Moutzouri and Barbosa, {Thais M} and Tormena, {Claudio F.} and Roberto Rittner and Phillips, {Andrew R.} and Coombes, {Steven R.} and Mathias Nilsson and Gareth Morris",

year = "2018",

doi = "10.1021/acs.analchem.8b00753",

language = "English",

journal = "Analytical Chemistry",

issn = "0003-2700",

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T1 - FESTA: an efficient NMR approach for the structural analysis of mixtures containing fluorinated species

AU - Castanar Acedo, Laura

AU - Moutzouri, Pinelopi

AU - Barbosa, Thais M

AU - Tormena, Claudio F.

AU - Rittner, Roberto

AU - Phillips, Andrew R.

AU - Coombes, Steven R.

AU - Nilsson, Mathias

AU - Morris, Gareth

PY - 2018

Y1 - 2018

N2 - In complex mixtures, proton NMR spectra are often very crowded, making spectral analysis complicated or even impossible, particularly when detailed structural information about the mixture components is needed. A new 1D NMR method (Fluorine-Edited Selective TOCSY Acquisition, FESTA) is introduced that facilitates the structural analysis of mixtures of species that contain fluorine. It allows simplified 1H spectra to be obtained that show only those protons that are in a spin system coupled to fluorine of interest. The new method is illustrated by factorizing a complex 1H spectrum into subspectra for individual spin systems involving different 19F sites.

AB - In complex mixtures, proton NMR spectra are often very crowded, making spectral analysis complicated or even impossible, particularly when detailed structural information about the mixture components is needed. A new 1D NMR method (Fluorine-Edited Selective TOCSY Acquisition, FESTA) is introduced that facilitates the structural analysis of mixtures of species that contain fluorine. It allows simplified 1H spectra to be obtained that show only those protons that are in a spin system coupled to fluorine of interest. The new method is illustrated by factorizing a complex 1H spectrum into subspectra for individual spin systems involving different 19F sites.

U2 - 10.1021/acs.analchem.8b00753

DO - 10.1021/acs.analchem.8b00753

M3 - Article

SN - 0003-2700

JO - Analytical Chemistry

JF - Analytical Chemistry

ER -

FESTA: an efficient NMR approach for the structural analysis of mixtures containing fluorinated species

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