Further synthetic investigation of the general lanthanoid(<scp>iii</scp>) [Ln(<scp>iii</scp>)]/copper(<scp>ii</scp>)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuII5LnIII4} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(<scp>iii</scp>) analogue

Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Júlia; Stamatatos, Theocharis C.

doi:10.1039/d0dt03582c

Cited by 7 publications

(2 citation statements)

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“…[ 36–40 ] Interestingly, complexes 1 and 2 show entirely different natures in comparison with those reported Cu‐Ln clusters. [ 41–43 ] Two Dy III and two Cu II are linked by six O atoms to construct a Z‐shaped Cu‐(O) 2 ‐Dy‐(O) 2 ‐Dy‐(O) 2 ‐Cu skeleton.…”

Section: Resultsmentioning

confidence: 99%

Two tetranuclear Cu₂Ln₂ (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Zhang

Zhu

et al. 2021

Applied Organom Chemis

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Two tetranuclear 3d–4f heterometallic complexes [Cu2Ln2(NO3)4(OAc)2L4] (Ln = Dy 1, Tb 2) were obtained under solvothermal reactions of 1‐amino‐propan‐2‐ol (HL) with [Cu2(OAc)4(H2O)2] and Ln (NO3)3·5H2O. The structural analyses confirmed a centrosymmetric Z‐shaped skeleton for them with the peripheral positions occupied by two Cu (II) ions. The neighboring two lanthanide ions, as well as the neighboring ions of Ln (III) and Cu (II), are all double‐bridged through two O atoms. The detailed dynamic magnetic investigation showed slow magnetic relaxation behaviors for both complexes with an energy barrier of 1.35(2) and 2.02(4) K for 1 and 2, respectively. Furthermore, it revealed from the electrospray mass spectrometry (ESI‐MS) that complexes 1 and 2 easily undergo dimerization in solution.

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Section: Resultsmentioning

confidence: 99%

Two tetranuclear Cu₂Ln₂ (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Zhang

Zhu

et al. 2021

Applied Organom Chemis

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“…These elements can be regulated by the coordination sphere and/or bridging ligands which behave as superexchange pathways [23–28] . Recent studies in lanthanide chemistry show even a small change in ligand coordination can drastically modify the overall magnetism dynamics of the complexes [29–34] . Thus, designing and isolating dinuclear SMMs in a controlled manner, one can build larger motifs using a bottom‐up approach and construct SMMs with higher effective energy and blocking temperature.…”

Section: Introductionmentioning

confidence: 99%

Zero‐field Slow Magnetic Relaxation Behavior of Dy₂ in a Series of Dinuclear {Ln₂} (Ln=Dy, Tb, Gd and Er) Complexes: A Combined Experimental and Theoretical Study

et al. 2022

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A series of dinuclear lanthanide(III) complexes having general formulae [Ln2L2(thd)4] ⋅ 2CH3CN {Ln=DyIII(1), TbIII(2), GdIII(3), ErIII(4)} were successfully synthesized using Schiff base (E)‐2‐((pyridin‐2‐ylmethylene)amino)phenol (LH) and co‐ligand 2,2,6,6‐Tetramethyl‐3,5‐heptanedione (Hthd). The single crystal XRD data shows that complexes possess a dinuclear planar [Ln2(μ2‐O)2]4+ core where phenolate oxygen atoms act as bridges between the two LnIII ions, and that the coordination sphere of LnIII with eight coordination has distorted trigonal dodecahedron geometry. The magnetic analysis shows complex 1 is a single molecule magnet having a zero‐field effective energy barrier (Ueff) of 54.02 K and relaxation time of τo=4.45×10−6 s. Field‐induced SMM behavior has been observed for 4 with an effective energy barrier of 26.9 K and τ0=2.4×10−9 s. CASSCF+RASSI‐SO calculations on 1, 2 and 4 provide deep insight regarding the electronic structure and single‐ion anisotropy of lanthanide ions. Further, using state‐of‐the‐art ab initio calculations, the nature of magnetic anisotropy and magnetic exchange interaction between the LnIII centers is analyzed to shed light on the magnetic dynamics of all the complexes 1–4.

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Quantum Chemical, Molecular Docking, and Dynamics Simulation Studies of 2,6‐Pyridinedimethanol

Fatima,

Siddiqui,

Saral

et al. 2024

ChemistrySelect

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An experimental and theoretical analysis of 2,6‐pyridinedimethanol (2,6‐PDM) is presented here. The DFT and B3LYP methods with a 6–311++G (d,p)basis set were applied to obtain theoretical results. The molecular structure of the monomer and dimer were enhanced. The estimated and measured geometrical characteristics and spectrum were analyzed and were demonstrated to be in close agreement with one another. MEP and Fukui functions gave details about reactive areas and charge distribution of the molecule. The techniques of the Hirshfeld method and fingerprint graphs were carried out to investigate the intermolecular relationship of crystalline surfaces. Docking studies were carried out on 1BX4, 2BBW, 2I6B, 4O1L, 6TA0, and TB8H proteins, and drug similarity was also determined via the drug‐likeness properties. The stability and interaction of ligands with receptors have been studied with molecular dynamics simulation.

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Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuII5LnIII4} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue

Abstract: In addition to previously studied {CuII3Gd6}, {CuII8Gd4}, {CuII15Ln7} and {CuII4Ln8} coordination clusters (Ln = trivalent lanthanide) containing pdm2- or Hpdm- ligands (H2pdm = pyridine-2,6-dimethanol) and ancillary carboxylate groups (RCO2-), the...

Cited by 7 publications

References 78 publications

Two tetranuclear Cu₂Ln₂ (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Two tetranuclear Cu₂Ln₂ (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Zero‐field Slow Magnetic Relaxation Behavior of Dy₂ in a Series of Dinuclear {Ln₂} (Ln=Dy, Tb, Gd and Er) Complexes: A Combined Experimental and Theoretical Study

Quantum Chemical, Molecular Docking, and Dynamics Simulation Studies of 2,6‐Pyridinedimethanol

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Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuII5LnIII4} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue

Abstract: In addition to previously studied {CuII3Gd6}, {CuII8Gd4}, {CuII15Ln7} and {CuII4Ln8} coordination clusters (Ln = trivalent lanthanide) containing pdm2- or Hpdm- ligands (H2pdm = pyridine-2,6-dimethanol) and ancillary carboxylate groups (RCO2-), the...

Cited by 7 publications

References 78 publications

Two tetranuclear Cu2Ln2 (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Two tetranuclear Cu2Ln2 (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Zero‐field Slow Magnetic Relaxation Behavior of Dy2 in a Series of Dinuclear {Ln2} (Ln=Dy, Tb, Gd and Er) Complexes: A Combined Experimental and Theoretical Study

Quantum Chemical, Molecular Docking, and Dynamics Simulation Studies of 2,6‐Pyridinedimethanol

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Two tetranuclear Cu₂Ln₂ (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Two tetranuclear Cu₂Ln₂ (Ln = Dy, Tb) heterometallic complexes: Structure, solution behavior, and magnetic properties

Zero‐field Slow Magnetic Relaxation Behavior of Dy₂ in a Series of Dinuclear {Ln₂} (Ln=Dy, Tb, Gd and Er) Complexes: A Combined Experimental and Theoretical Study