A5062531660- Magnetism in coordination complexes
- Lanthanide and Transition Metal Complexes
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Electron Spin Resonance Studies
- Metal complexes synthesis and properties
- Organometallic Complex Synthesis and Catalysis
- Metal-Organic Frameworks: Synthesis and Applications
- Organic and Molecular Conductors Research
- Organometallic Compounds Synthesis and Characterization
- Synthesis and characterization of novel inorganic/organometallic compounds
Indian Institute of Technology Hyderabad
2022-2025
We report herein an unusual occurrence of solvent-induced di- and hexanuclear lanthanide (Ln2 Ln6) complexes using unorthodox N-rich pyridyl-pyrazole-based ligand. The crystal structures Ln2 Ln6 are isostructural show a common feature: nonpolar periphery polar core where the paramagnetic centers exclusively bridged by oxygen atoms. Such favorable magnetic exchange coupling leads to interesting behaviors with befitting single-molecule magnet (SMM) magnetocaloric effect (MCE) features. Dy2...
Two distinct series of Zn II –Ln III complexes have been synthesized and characterized. Both experimental theoretical magnetic studies conducted to examine the influence diamagnetic ions on interactions.
DFT and ab initio calculations were performed on Dy(III) complexes of saturated/unsaturated 18-crown-6 ligands to unravel the bonding SIM behaviour. U18C6 stabilize D 5h geometry around ion, resulting in a giant barrier over 2700 K.
In this article, we have thoroughly studied the electronic structure and 4f-ligand covalency of six mononuclear dysprosium organometallic sandwich complexes [Dy(CmRm)2]n+/- (where R = H, SiH3, CH3; m 4 to 9; n 1, 3) using both scalar relativistic density functional complete active space self-consistent field (CASSCF) N-electron valence perturbation theory (NEVPT2) method shed light on ligand effects in fine-tuning magnetic anisotropy these complexes. Energy decomposition analysis (EDA) ab...
The novel LnIII {Ln = Dy (1-Dy), Gd (2-Gd), and La (3-La)} benzimidazolium tricarboxylate coordination polymers have been synthesized, their magnetic properties investigated. Single-crystal X-ray analysis revealed that 1-Dy, 2-Gd, 3-La are one-dimensional with general molecular formulas of {[Ln(L)2(H2O)4]·(6Br)}∞ [L 3,3′,3′′-((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(1-(carboxymethyl)-benzimidazolium)], which crystallized in the monoclinic, P21/c space group. solid-state...
According to this study, the magnetic exchange and anisotropy of Dy 2 complexes 1–3 were changed by axial-diketonate co-ligands, which controlled SMM behaviors. Anisotropy III sites barriers amended while J Dy-Dy strength decreased in 1–3.
Octahedral Mn III ions possess significant magnetic anisotropy due to second-order orbital contribution combined with Jahn–Teller distortion.
Seven-membered homometallic FeIII7, MnIII3MnII4 coordination clusters were previously reported to be spin-frustrated molecular discs. Herein, a mixed bimetallic and mixed-valence dicationic [MnIIMnIII2NiII4(N3)4(hmp)10](NO3)2 (12+(NO3)2) was isolated in pure form without scrambling of Ni/Mn ions. It structurally characterized by single-crystal X-ray diffraction. The presence MnII ions at the center disc has been confirmed EPR measurements. magnetic studies suggest that complex 12+(NO3)2...
Using density functional theory and multireference methods, we have unravelled the electronic structure, bonding, heavy element effects on magnetic anisotropy in mononuclear [Dy III (E 4 ) 2 ] − = N, P, As, CH) complexes.