The influence of selected transition metal ions on the structure, thermal and microbiological properties of pyrazine-2-carboxylic acid

Grzegorz Świderski , Sławomir Wojtulewski , Monika Kalinowska , Renata Świsłocka , Agnieszka Wilczewska , Anna Pietryczuk , Adam Cudowski , Włodzimierz Lewandowski

Abstract

Pyrazine-2-carboxylic acid (2-PC) and 3d transition metal pyrazine-2-carboxylates (2-PCA) were characterized by means of X-ray, spectroscopic (Raman, FTIR) and thermogravimetric analysis. X-ray diffraction data were collected at 100 K and the crystal structures were solved and refined. The general formula of the copper(II), manganese(II), nickel(II), zinc(II) and cobalt(II) pyrazine-2-carboxylates was [M(2-PCA)2(H2O)2] (where M is a metal). The cobalt(II), nickel(II), copper(II) and zinc(II) complexes crystallize in the space group P21/c, in the monoclinic crystal system The manganese(II) complex crystallizes in the space group F2dd in the orthorhombic crystal system. The coordination sphere around the metal cations can be described as octahedral, however in the case of the Cu(II) complex, the octahedral geometry is distorted in the axial direction, which is caused by the Jahn–Teller effect. The products of dehydration and decomposition processes of the studied compounds were determined from the TG (thermogravimetric) and DSC (differential scanning calorimetry) curves. The theoretical structures and the IR spectra of pyrazine-2-carboxylic acid and the manganese(II) complex were calculated at the B3LYP/6-311++G(d,p) level of theory. The aromaticity indices (HOMA, I6) were calculated for 2-PC and [M(2-PCA)2(H2O)2]2 on the basis of the theoretical bond lengths in the aromatic ring. The influence of the 3d-metals on the aromatic system of pyrazine-2-carboxylic acid is discussed. 2-PC acid complexes with transition 3d-metals show a very weak antimicrobial effect, as no inhibition of bacterial and fungal growth was noted up to 10 mg/mL.
Author Grzegorz Świderski (FCEE / DCBB)
Grzegorz Świderski,,
- Department of Chemistry, Biology and Biotechnology
, Sławomir Wojtulewski
Sławomir Wojtulewski,,
-
, Monika Kalinowska (FCEE / DCBB)
Monika Kalinowska,,
- Department of Chemistry, Biology and Biotechnology
, Renata Świsłocka (FCEE / DCBB)
Renata Świsłocka,,
- Department of Chemistry, Biology and Biotechnology
, Agnieszka Wilczewska
Agnieszka Wilczewska,,
-
, Anna Pietryczuk
Anna Pietryczuk,,
-
, Adam Cudowski
Adam Cudowski,,
-
, Włodzimierz Lewandowski (FCEE / DCBB)
Włodzimierz Lewandowski,,
- Department of Chemistry, Biology and Biotechnology
Journal seriesPolyhedron, ISSN 0277-5387, (N/A 100 pkt)
Issue year2020
Vol175
Pages1-12
Publication size in sheets0.55
Article number114173
Keywords in EnglishPyrazine-2-carboxylic acid, Pyrazanoic acid, Pyrazinecarboxylate, 3d transition metal complexes, Thermal stud
ASJC Classification1604 Inorganic Chemistry; 1606 Physical and Theoretical Chemistry; 2505 Materials Chemistry
DOIDOI:10.1016/j.poly.2019.114173
URL https://www.sciencedirect.com/science/article/pii/S0277538719306102
Internal identifierROC 19-20
Languageen angielski
LicenseJournal (articles only); published final; Uznanie Autorstwa (CC-BY); with publication
Score (nominal)100
Score sourcejournalList
ScoreMinisterial score = 100.0, 14-02-2020, ArticleFromJournal
Publication indicators Scopus SNIP (Source Normalised Impact per Paper): 2017 = 0.654; WoS Impact Factor: 2018 = 2.284 (2) - 2018=1.89 (5)
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