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Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies

Mukherjee, Sandip and Patil, Yogesh P and Mukherjee, Partha Sarathi (2012) Cu(II)-azide polymers with various molar equivalents of blocking diamine ligands: synthesis, structures, magnetic properties with DFT studies. In: Dalton Transactions, 41 (1). pp. 54-64.

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Abstract

Four new neutral copper-azido polymers [Cu(4)(N(3))(8)(Me-hmpz)(2)](n) (1), [Cu(4)(N(3))(8)(men)(2)](n) (2), [Cu(5)(N(3))(10)(N,N-dmen)(2)](n) (3) and [Cu(5)(N(3))(10)(N,N'-dmen)(5)](n) (4) [Me-hmpz = 1-methylhomopiperazine; men = N-methylethylenediamine; N, N-dmen = N, N-dimethylethylenediamine and N, N'-dmen = N, N'-dimethylethylenediamine] have been synthesized by using various molar equivalents of the chelating diamine ligands with Cu(NO(3))(2)center dot 3H(2)O and an excess of NaN(3). Single-crystal X-ray structures show that the basic asymmetric units of 1 and 2 are very similar, but the overall 1D structures were found to be quite different. Complex 3 with a different composition was found to be 2D in nature, while the 1D complex 4 with 1 : 1 metal to diamine ratio presented several new structural features. Cryomagnetic susceptibility measurements over a wide range of temperature were corroborated with density functional theory calculations (B3LYP functional) performed on the complexes 1-3 to provide a qualitative theoretical interpretation of their overall magnetic behavior.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Royal Society of Chemistry.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 03 Jan 2012 12:04
Last Modified: 03 Jan 2012 12:05
URI: http://eprints.iisc.ernet.in/id/eprint/42957

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