Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu() 1-D coordination polymers

The novel multitopic ligands N -hydroxy-4-((2-hydroxy-3-methoxybenzyl)amino)benzamide (L 3 H 3 ) and N -hydroxy-4-((2-hydroxybenzyl)amino)benzamide (L 4 H 3 ) have been synthesised through the Schiff base coupling and subsequent reduction of 4-aminophenylhydroxamic acid and either o -vanillin (to gi...

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Veröffentlicht in:CrystEngComm 2021-08, Vol.23 (32), p.5531-5539
Hauptverfasser: Fugu, Mohammed B, Coley, Joe, Dickinson, Isabella F, Orton, James B, Klooster, Wim, Gleeson, M. Paul, Jones, Leigh F
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Sprache:eng
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Zusammenfassung:The novel multitopic ligands N -hydroxy-4-((2-hydroxy-3-methoxybenzyl)amino)benzamide (L 3 H 3 ) and N -hydroxy-4-((2-hydroxybenzyl)amino)benzamide (L 4 H 3 ) have been synthesised through the Schiff base coupling and subsequent reduction of 4-aminophenylhydroxamic acid and either o -vanillin (to give L 3 H 3 ) or 2-hydroxybenzaldehyde (to give L 4 H 3 ). These linear multitopic ligands bind Cu( ii ) centres at both the hydroxamate and phenol ends to form the 1-D coordination polymers [Cu( ii )(L 3 H 2 ) 2 ] n ( 1 ) and {[Cu( ii )(L 4 H 2 ) 2 ]·2MeOH} n ( 2 ). Slight differences in the structures of L 3 H 3 and L 4 H 3 lead to significant extended connectivity changes upon Cu( ii ) metalation that are exampled by a 27% decrease in intra-chain Cu( ii ) Cu( ii ) distance upon moving from 1 to 2 . The significant conformation and metal binding differences shown by L 3 H 2 − and L 4 H 2 − in 1 and 2 respectively have been rationalised using density functional theory (DFT) calculations. Hirshfeld surface analysis has been employed to assess and visualise the intra- and intermolecular interactions in both complexes. Two novel hydroxamic acids have been used in constructing two 1-D coordination polymers. Slight structural differences promote connectivity changes upon Cu( ii ) metalation as rationalised using DFT calculations and Hirschfeld surface analysis.
ISSN:1466-8033
1466-8033
DOI:10.1039/d1ce00807b