Mononuclear Lanthanide Complexes in Triangular Dodecahedron Geometry: Manifestation of Single Ion Magnet Behavior for DyIII Analogue

Ahmed, Naushad (2023) Mononuclear Lanthanide Complexes in Triangular Dodecahedron Geometry: Manifestation of Single Ion Magnet Behavior for DyIII Analogue. Crystal Growth & Design, 23 (2). pp. 1066-1075. ISSN 1528-7483

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Abstract

In this work, a tridentate N,N,O ligand [(E)-4-nitro-2-((pyridine-2-ylmethylene)amino)phenol] (LNO2H) is employed for the synthesis of neutral structurally similar complexes [DyIII(LNO2)2(Cl)(H2O)]•H2O (1) and [ErIII(LNO2)2(Cl)(CH3OH)]•3CH3OH (2). Both complexes are characterized by single-crystal X-ray diffraction studies. LnIII ion in complexes 1 and 2 is eight coordinated and possesses triangular dodecahedron geometry as confirmed by the SHAPE analysis. The Hirshfeld surface calculation emphasizes the importance of hydrogen bond interaction that controls the overall crystal packing. The magnetic studies reveal that complex 1 shows single ion magnet (SIM) behavior with an effective energy barrier of 34.16 K and pre-exponential parameter 6.51 × 10-6 s. The CASSCF based ab initio calculations were performed on complexes 1 and 2 to extract SH parameters and the plausible magnetic relaxation dynamics.

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IITH Creators:

IITH Creators	ORCiD

Item Type:

Article

Uncontrolled Keywords:

Chelation; Coordination reactions; Hydrogen bonds; Single crystals; Synthesis (chemical); 2 pyridines; Amino-phenols; Complex 1; Hirshfeld surfaces; Lanthanides complexes; Magnet behavior; O ligands; Pyridine-2; Single ion; Single-crystal X-ray diffraction studies; Ions

Subjects:

Chemistry > Electrochemistry
Chemistry
Chemistry > Physical chemistry

Divisions:

Department of Chemistry

Depositing User:

Mr Nigam Prasad Bisoyi

Date Deposited:

22 Aug 2023 05:30

Last Modified:

22 Aug 2023 05:30

URI:

http://raiithold.iith.ac.in/id/eprint/11586