Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)

Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)

In the presented work the thermal, theoretical (DFT) and spectroscopic (IR, Raman, NMR) properties of alkali metal complexes with quinolinic acid (2,3-pyridinedicarboxylic acid) and dipicolinic acid (2,6-pyridinedicarboxylic acid) were studied. The IR and Raman spectra were registered and analyzed i...

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Main Authors: G. Świderski, H. Lewandowska, R. Świsłocka, S. Wojtulewski, L. Siergiejczyk, A.Z. Wilczewska, I. Misztalewska
Format: Article
Language:English
Published: Elsevier 2019-12-01
Series:Arabian Journal of Chemistry
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535216300892
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spelling doaj-57d367ab869f45649ab80cde4b030d2d2020-11-25T03:30:34ZengElsevierArabian Journal of Chemistry1878-53522019-12-0112844144426Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)G. Świderski0H. Lewandowska1R. Świsłocka2S. Wojtulewski3L. Siergiejczyk4A.Z. Wilczewska5I. Misztalewska6Division of Chemistry, Bialystok University of Technology, Wiejska 45E Street, 15-351 Bialystok, Poland; Corresponding author. Fax: +48 5 746 95 59.Institute of Nuclear Chemistry and Technology, Centre for Radiobiology and Biological Dosimetry, Dorodna 16, 03-195 Warsaw, PolandDivision of Chemistry, Bialystok University of Technology, Wiejska 45E Street, 15-351 Bialystok, PolandInstitut of Chemistry, University of Bialystok, Ciolkowskiego Street 1K, 15-245 Bialystok, PolandInstitut of Chemistry, University of Bialystok, Ciolkowskiego Street 1K, 15-245 Bialystok, PolandInstitut of Chemistry, University of Bialystok, Ciolkowskiego Street 1K, 15-245 Bialystok, PolandInstitut of Chemistry, University of Bialystok, Ciolkowskiego Street 1K, 15-245 Bialystok, PolandIn the presented work the thermal, theoretical (DFT) and spectroscopic (IR, Raman, NMR) properties of alkali metal complexes with quinolinic acid (2,3-pyridinedicarboxylic acid) and dipicolinic acid (2,6-pyridinedicarboxylic acid) were studied. The IR and Raman spectra were registered and analyzed in the range of 400–4000 cm−1. 1H NMR and 13C NMR spectra of analyzed compounds have been registered and assigned. The electronic charge distribution for the studied acids and their salts with lithium, sodium and potassium was calculated. All the calculations were done in the frame of density functional theory (DFT) using 6-311++G(d,p) basis set. The thermal decomposition of the analyzed compounds was done. Keywords: Dipicolinic acid, Quinolinic acid, Pyridinedicarboxylic acid, Dipicolinates, Quinolinates, Alkali metal saltshttp://www.sciencedirect.com/science/article/pii/S1878535216300892
collection DOAJ
language English
format Article
sources DOAJ
author G. Świderski
H. Lewandowska
R. Świsłocka
S. Wojtulewski
L. Siergiejczyk
A.Z. Wilczewska
I. Misztalewska
spellingShingle G. Świderski
H. Lewandowska
R. Świsłocka
S. Wojtulewski
L. Siergiejczyk
A.Z. Wilczewska
I. Misztalewska
Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
Arabian Journal of Chemistry
author_facet G. Świderski
H. Lewandowska
R. Świsłocka
S. Wojtulewski
L. Siergiejczyk
A.Z. Wilczewska
I. Misztalewska
author_sort G. Świderski
title Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
title_short Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
title_full Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
title_fullStr Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
title_full_unstemmed Spectroscopic (IR, Raman, NMR), thermal and theoretical (DFT) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
title_sort spectroscopic (ir, raman, nmr), thermal and theoretical (dft) study of alkali metal dipicolinates (2,6) and quinolinates (2,3)
publisher Elsevier
series Arabian Journal of Chemistry
issn 1878-5352
publishDate 2019-12-01
description In the presented work the thermal, theoretical (DFT) and spectroscopic (IR, Raman, NMR) properties of alkali metal complexes with quinolinic acid (2,3-pyridinedicarboxylic acid) and dipicolinic acid (2,6-pyridinedicarboxylic acid) were studied. The IR and Raman spectra were registered and analyzed in the range of 400–4000 cm−1. 1H NMR and 13C NMR spectra of analyzed compounds have been registered and assigned. The electronic charge distribution for the studied acids and their salts with lithium, sodium and potassium was calculated. All the calculations were done in the frame of density functional theory (DFT) using 6-311++G(d,p) basis set. The thermal decomposition of the analyzed compounds was done. Keywords: Dipicolinic acid, Quinolinic acid, Pyridinedicarboxylic acid, Dipicolinates, Quinolinates, Alkali metal salts
url http://www.sciencedirect.com/science/article/pii/S1878535216300892
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