Thermal, spectroscopic, X-ray and theoretical studies of metal complexes (sodium, manganese, copper, nickel, cobalt and zinc) with pyrimidine-5-carboxylic and pyrimidine-2-carboxylic acids

Grzegorz Świderski , Renata Świsłocka , R. Łyszczek , S. Wojtulewski , Mariola Samsonowicz , Włodzimierz Lewandowski

Abstract

The new 3d metal complexes of pyrimidine-2-carboxylic (2PCA) and pyrimidine-5-carboxylic (5PCA) acids were synthesized and characterized using thermal analysis (TG–DSC, TG–FTIR), X-ray, spectroscopic (IR, Raman) methods and theoretical (DFT) studies. In the complexes of pyrimidine-2-carboxylic acid of the general formula M(2PCA)2xH2O (where 2PCA-pyrimidine-2-carboxylate; M = Mn(II), Co(II), Ni(II), Cu(II) and Zn; x = 0 for Mn and Cu; x = 2 for Co, Ni and Zn) coordination of metal ions occurs through nitrogen atom from pyrimidine ring and carboxylate oxygen atom. The complexes of pyrimidine-5-carboxylic acid of the general formula M(5PCA)2xH2O (where 5PCA—pyrimidine-5-carboxylate; M = Mn(II), Co(II), Ni(II), Cu(II) and Zn; x = 6 for Cu and 4 for remaining complexes) were obtained as monomeric isostructural compounds. Coordination of metal centers occurs through two nitrogen atom from different pyrimidine-5-carboxylate ligand and four oxygen atoms from water molecules. The IR and Raman spectra of free acids as well as obtained metal(II) complexes were described in detail. Aromaticity (HOMA, EN, GEO and I6) of complexes was determined and discussed. The investigated compounds decompose in air in two main stages connected with dehydration and decomposition/burning of anhydrous compounds to the suitable metal oxides. Thermal decomposition in nitrogen leads to the evolution of water, carbon oxides, ammonia and pyrimidine molecules
Author Grzegorz Świderski (FCEE / DCBB)
Grzegorz Świderski,,
- Department of Chemistry, Biology and Biotechnology
, Renata Świsłocka (FCEE / DCBB)
Renata Świsłocka,,
- Department of Chemistry, Biology and Biotechnology
, R. Łyszczek
R. Łyszczek,,
-
, S. Wojtulewski
S. Wojtulewski,,
-
, Mariola Samsonowicz (FCEE / DCBB)
Mariola Samsonowicz,,
- Department of Chemistry, Biology and Biotechnology
, Włodzimierz Lewandowski (FCEE / DCBB)
Włodzimierz Lewandowski,,
- Department of Chemistry, Biology and Biotechnology
Journal seriesJournal of Thermal Analysis and Calorimetry, ISSN 1388-6150, e-ISSN 1588-2926, (N/A 70 pkt)
Issue year2019
Vol138
No4
Pages2813-2837
Publication size in sheets1.2
Keywords in EnglishPyrimidine-2-carboxylic acid, Pyrimidine-5-carboxylic acid, 3d metal complexes, Aromaticity indices, Thermal analysis
ASJC Classification1606 Physical and Theoretical Chemistry; 3104 Condensed Matter Physics
DOIDOI:10.1007/s10973-019-08594-x
URL https://link.springer.com/article/10.1007/s10973-019-08594-x
Internal identifierROC 19-20
Languageen angielski
LicenseJournal (articles only); published final; Uznanie Autorstwa (CC-BY); with publication
Score (nominal)70
Score sourcejournalList
ScoreMinisterial score = 70.0, 12-02-2020, ArticleFromJournal
Publication indicators Scopus SNIP (Source Normalised Impact per Paper): 2018 = 1.063; WoS Impact Factor: 2018 = 2.471 (2) - 2018=2.084 (5)
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