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The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N3O2 pentadentate ligand: synthesis, structure and magnetic properties

A series of three mononuclear pentagonal-bipyramidal V(III) complexes with the equatorial pentadentate N3O2 ligand (2,6-diacethylpyridinebis(benzoylhydrazone), H2DAPBH) in the different charge states (H2DAPBH0, HDAPBH1−, DAPBH2−) and various apical ligands (Cl−, CH3OH, SCN−) were synthesized and cha...

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Main Authors: Bazhenova, Tamara A. (Author) , Zorina, Leokadiya V. (Author) , Simonov, Sergey V. (Author) , Mironov, Vladimir S. (Author) , Maximova, Olga V. (Author) , Spillecke, Lena (Author) , Koo, Changhyun (Author) , Klingeler, Rüdiger (Author) , Manakin, Yuriy V. (Author) , Vasiliev, Alexander N. (Author) , Yagubskii, Eduard B. (Author)
Format: Article (Journal)
Language:English
Published: 05 Oct 2020
In: Dalton transactions
Year: 2020, Volume: 49, Issue: 43, Pages: 15287-15298
ISSN:1477-9234
DOI:10.1039/D0DT03092A
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1039/D0DT03092A
Verlag, lizenzpflichtig, Volltext: https://pubs.rsc.org/en/content/articlelanding/2020/dt/d0dt03092a
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Author Notes:Tamara A. Bazhenova, Leokadiya V. Zorina, Sergey V. Simonov, Vladimir S. Mironov, Olga V. Maximova, Lena Spillecke, Changhyun Koo, Rüdiger Klingeler, Yuriy V. Manakin, Alexander N. Vasiliev, Eduard B. Yagubskii
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Summary:A series of three mononuclear pentagonal-bipyramidal V(III) complexes with the equatorial pentadentate N3O2 ligand (2,6-diacethylpyridinebis(benzoylhydrazone), H2DAPBH) in the different charge states (H2DAPBH0, HDAPBH1−, DAPBH2−) and various apical ligands (Cl−, CH3OH, SCN−) were synthesized and characterized structurally and magnetically: [V(H2DAPBH)Cl2]Cl·C2H5OH (1), [V(HDAPBH)(NCS)2]·0.5CH3CN·0.5CH3OH (2) and [V(DAPBH)(CH3OH)2]Cl·CH3OH (3). All three complexes reveal paramagnetic behavior, resulting from isolated S = 1 spins with positive zero-field splitting energy expected for the high-spin ground state of the V3+ (3d2) ion in a PBP coordination. Detailed high-field EPR measurements for compound 3 show that its magnetic properties are best described by using the spin Hamiltonian with the positive ZFS energy (D = +4.1 cm−1) and pronounced dimer-like antiferromagnetic spin coupling (J = −1.1 cm−1). Theoretical analysis based on superexchange calculations reveals that the long-range spin coupling between distant V3+ ions (8.65 Å) is mediated through π-stacking contacts between the planar DAPBH2− ligands of two neighboring [V(DAPBH)(CH3OH)2]+ complexes.
Item Description:Gesehen am 18.07.2022
Im Titel sind die Zahlen "2" und "3" tiefgestellt
Physical Description:Online Resource
ISSN:1477-9234
DOI:10.1039/D0DT03092A

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