NaI/CuI-II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links

Synthesis, structural, magnetostructural correlation and computational studies

Aurkie Ray, Georgina M. Rosair, Ramanan Rajeev, Raghavan B. Sunoj, Eva Rentschler, Samiran Mitra

Research output: Contribution to journalArticle

Abstract

A new NaI/CuI-II heterometallic coordination complex [Cu2L2Na(NCO)2Cu]n (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N2O2 donor Schiff base ligand (H2L = N,N'-bis(2-hydroxyacetophenone)propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled with J = -13.8 cm-1. Complex 1 is a new addition to a class of rare singly end-to-end cyanato bridged copper(I) species and interestingly the copper ions involved in OCN-Cu(I)-NCO links possess a linear 2-coordinate geometry. Density functional theory calculations have been carried out to gain additional insights into the metal and ligand orbitals participating in this unusual structure. © The Royal Society of Chemistry 2009.

Original languageEnglish
Pages (from-to)9510-9519
Number of pages10
JournalDalton Transactions
Issue number43
DOIs
Publication statusPublished - 2009

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Copper
Ligands
Schiff Bases
Coordination Complexes
Structural analysis
Spectrum analysis
Density functional theory
Metals
Ions
Geometry
Chemical analysis
2'-hydroxyacetophenone

Cite this

Ray, Aurkie ; Rosair, Georgina M. ; Rajeev, Ramanan ; Sunoj, Raghavan B. ; Rentschler, Eva ; Mitra, Samiran. / NaI/CuI-II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links : Synthesis, structural, magnetostructural correlation and computational studies. In: Dalton Transactions. 2009 ; No. 43. pp. 9510-9519.
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abstract = "A new NaI/CuI-II heterometallic coordination complex [Cu2L2Na(NCO)2Cu]n (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N2O2 donor Schiff base ligand (H2L = N,N'-bis(2-hydroxyacetophenone)propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled with J = -13.8 cm-1. Complex 1 is a new addition to a class of rare singly end-to-end cyanato bridged copper(I) species and interestingly the copper ions involved in OCN-Cu(I)-NCO links possess a linear 2-coordinate geometry. Density functional theory calculations have been carried out to gain additional insights into the metal and ligand orbitals participating in this unusual structure. {\circledC} The Royal Society of Chemistry 2009.",
author = "Aurkie Ray and Rosair, {Georgina M.} and Ramanan Rajeev and Sunoj, {Raghavan B.} and Eva Rentschler and Samiran Mitra",
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NaI/CuI-II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links : Synthesis, structural, magnetostructural correlation and computational studies. / Ray, Aurkie; Rosair, Georgina M.; Rajeev, Ramanan; Sunoj, Raghavan B.; Rentschler, Eva; Mitra, Samiran.

In: Dalton Transactions, No. 43, 2009, p. 9510-9519.

Research output: Contribution to journalArticle

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AU - Ray, Aurkie

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AU - Rajeev, Ramanan

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AU - Rentschler, Eva

AU - Mitra, Samiran

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N2 - A new NaI/CuI-II heterometallic coordination complex [Cu2L2Na(NCO)2Cu]n (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N2O2 donor Schiff base ligand (H2L = N,N'-bis(2-hydroxyacetophenone)propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled with J = -13.8 cm-1. Complex 1 is a new addition to a class of rare singly end-to-end cyanato bridged copper(I) species and interestingly the copper ions involved in OCN-Cu(I)-NCO links possess a linear 2-coordinate geometry. Density functional theory calculations have been carried out to gain additional insights into the metal and ligand orbitals participating in this unusual structure. © The Royal Society of Chemistry 2009.

AB - A new NaI/CuI-II heterometallic coordination complex [Cu2L2Na(NCO)2Cu]n (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N2O2 donor Schiff base ligand (H2L = N,N'-bis(2-hydroxyacetophenone)propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled with J = -13.8 cm-1. Complex 1 is a new addition to a class of rare singly end-to-end cyanato bridged copper(I) species and interestingly the copper ions involved in OCN-Cu(I)-NCO links possess a linear 2-coordinate geometry. Density functional theory calculations have been carried out to gain additional insights into the metal and ligand orbitals participating in this unusual structure. © The Royal Society of Chemistry 2009.

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