Magneto-structural correlations and DFT calculations in two rare tetranuclear copper(II)-clusters with doubly phenoxo and end-on azido bridges: Syntheses, structural variations and EPR studies - Université de Bretagne Occidentale Access content directly
Journal Articles Inorganica Chimica Acta Reviews Year : 2010

Magneto-structural correlations and DFT calculations in two rare tetranuclear copper(II)-clusters with doubly phenoxo and end-on azido bridges: Syntheses, structural variations and EPR studies

Abstract

By slightly changing the synthetic conditions, we have prepared two closely related linear tetranuclear CuII complexes with the symmetrical ONNO donor tetradentate Schiff-base ligand [H2L = (OH)C6H4(CH3)Cdouble bond; length as m-dashN(CH2)3Ndouble bond; length as m-dashC(CH3)C6H4(OH)] and with azide ions. These two distinctly coloured crystalline products were characterized by elemental analysis, IR and UV–Vis spectroscopy, CV, EPR spectra and variable temperature magnetic measurements. Single crystal X-ray diffraction studies of the green [Cu4(μ-L)2(μ1,1-N3)2(N3)2] (1) and the red [Cu4(μ-L)2(μ1,1-N3)2(N3)2(H2O)2] (2) crystals show that the coordination environment of the two μ-phenoxo and μ1,1-azido bridged isomorphous tetranuclear CuII complexes are slightly different. Thus, both complexes are formed by very similar building units, although with a significant variation in the bridging Cu–O(phenoxo)–Cu and Cu–N(azido)–Cu bond angles. The consequences of these structural variations on the magnetic properties have been investigated from both the experimental and theoretical points of view by variable temperature magnetic measurements and DFT calculations.
No file

Dates and versions

hal-01577427 , version 1 (25-08-2017)

Identifiers

Cite

Aurkie Ray, Samiran Mitra, Aliakbar Dehno Khalaji, Chahlae Atmani, Nathalie Cosquer, et al.. Magneto-structural correlations and DFT calculations in two rare tetranuclear copper(II)-clusters with doubly phenoxo and end-on azido bridges: Syntheses, structural variations and EPR studies. Inorganica Chimica Acta Reviews, 2010, 363 (13), pp.3580 - 3588. ⟨10.1016/j.ica.2010.07.014⟩. ⟨hal-01577427⟩
56 View
0 Download

Altmetric

Share

Gmail Mastodon Facebook X LinkedIn More