Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization

Paulina Mucha; Magdalena Małecka; Bogumiła Kupcewicz; Karin Lux; Anna Dołęga; Julia Jezierska; Elzbieta Budzisz

doi:10.1016/j.poly.2018.07.008

Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization

Abstract

Four new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and 2a complexes were elucidated from EPR measurements. where their g-tensor components were compared to those observed for 1b and 2b, the structures of which were determined by X-ray diffraction method. DFT calculations were performed to estimate the most favored mode of coordination, whereas comparative Hirshfeld surface studies were used to characterize intermolecular interactions in the studied complexes. Magnetic interactions of 1a and 2a were also analyzed.

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Authors (7)

Paulina Mucha
Magdalena Małecka
Bogumiła Kupcewicz
Karin Lux
Anna Dołęga prof. dr hab. inż.
Julia Jezierska
Elzbieta Budzisz

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Category:: Articles
Type:: artykuł w czasopiśmie wyróżnionym w JCR
Published in:: POLYHEDRON no. 153, pages 181 - 196,
ISSN: 0277-5387
Language:: English
Publication year:: 2018
Bibliographic description:: Mucha P., Małecka M., Kupcewicz B., Lux K., Dołęga A., Jezierska J., Budzisz E.: Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization// POLYHEDRON. -Vol. 153, (2018), s.181-196
DOI:: Digital Object Identifier (open in new tab) 10.1016/j.poly.2018.07.008
Verified by:: Gdańsk University of Technology