Issue 56, 2015

Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(ii)

Abstract

The synthesis, crystal structures and magnetic property of an uncommon oxalate-containing copper(II) chain of formula [Cu(L)(Ox)2(H2O)]n (2), where L = 3,5 dimethyl-1-(2′-pyridyl)-pyrazole and a mononuclear Cu(II) complex [Cu(L)(NO3)2] (1) derived from the same ligand, which can be used as the precursor of compound 2 are reported. The structure of 2 consists of tridentate oxalate-bridged (μ1,2,3) copper(II) chains, ligand (L) and crystallization water molecules. Variable-temperature magnetic susceptibility measurements of 2 show the occurrence of a weak ferromagnetic interaction through the oxalate bridge [J = +1.95 ± 0.08 cm−1]. The small J value can be interpreted as a consequence of the almost zero overlap between the Cu(II) ions through the bridging ligand due to the different character (axial and equatorial), giving quasi-orthogonal magnetic orbitals. DFT calculations have been used to rationalize several aspects including the magnetic coupling mechanism and the interesting noncovalent interactions observed in the solid state architecture of compounds 1 and 2.

Graphical abstract: Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(ii)

Supplementary files

Article information

Article type
Paper
Submitted
10 Mar 2015
Accepted
12 May 2015
First published
14 May 2015

RSC Adv., 2015,5, 45082-45091

Author version available

Synthesis, crystal structures, magnetic properties and DFT calculations of nitrate and oxalate complexes with 3,5 dimethyl-1-(2′-pyridyl)-pyrazole-Cu(II)

P. Pal, S. Konar, M. S. El Fallah, K. Das, A. Bauzá, A. Frontera and S. Mukhopadhyay, RSC Adv., 2015, 5, 45082 DOI: 10.1039/C5RA04241K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements