Large Magnetic Anisotropy in Linear CoII Complexes – Ab Initio Investigation of the Roles of Ligand Field, Structural Distortion, and Conformational Dynamics
Sign Up to like & getrecommendations! Published in 2017 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201601192
Abstract: Linear or near linear bicoordinated mononuclear Co(II) complexes are studied as potential single molecule magnets due to the strong spin-orbit constant of Co(II) and its low coordination number that retains the metal orbital angular momentum… read more here.
Keywords: distortion conformational; structural distortion; ligand field; magnetic anisotropy ... See more keywords
Effect of Co 2+ ions on the ligand field, optical, and structural properties of ZnLiB glasses
Sign Up to like & getrecommendations! Published in 2017 at "Optik"
DOI: 10.1016/j.ijleo.2017.04.042
Abstract: Abstract Glass systems with composition x CoO-(25-x) ZnO-75 Li 2 B 4 O 7 , (where x = 0, 0.5, 1, 2 and 3 mol%) were prepared by conventional melt-quenching technique. The density and molar volume of the… read more here.
Keywords: field optical; ligand field; field; ions ligand ... See more keywords
How the Ligand Field in Lanthanide Coordination Complexes Determines Magnetic Susceptibility Anisotropy, Paramagnetic NMR Shift, and Relaxation Behavior
Sign Up to like & getrecommendations! Published in 2020 at "Accounts of Chemical Research"
DOI: 10.1021/acs.accounts.0c00275
Abstract: Conspectus Complexes of lanthanide(III) ions are being actively studied because of their unique ground and excited state properties and the associated optical and magnetic behavior. In particular, they are used as emissive probes in optical… read more here.
Keywords: shift; field; field lanthanide; spectroscopy ... See more keywords
Influence of the Ligand Field on the Slow Relaxation of Magnetization of Unsymmetrical Monomeric Lanthanide Complexes: Synthesis and Theoretical Studies.
Sign Up to like & getrecommendations! Published in 2017 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.7b02357
Abstract: A series of monomeric lanthanide Schiff base complexes with the molecular formulas [Ce(HL)3(NO3)3] (1) and [Ln(HL)2(NO3)3], where LnIII = Tb (2), Ho (3), Er (4), and Lu (5), were isolated and characterized by single-crystal X-ray… read more here.
Keywords: field; monomeric lanthanide; ligand field; magnetization ... See more keywords
Luminescent Vapochromism Due to a Change of the Ligand Field in a One-Dimensional Manganese(II) Coordination Polymer.
Sign Up to like & getrecommendations! Published in 2018 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.8b01205
Abstract: The reactions of MnBr2 and ethane-1,2-diylbis(diphenylphosphine oxide) (dppeO2) in dichloromethane-methanol solutions gave colorless crystals with the general chemical formulas [MnBr2(dppeO2)] n (1), [MnBr2(dppeO2)(DMF)] n (1a), [Mn(dppeO2)3][MnBr4] (2), and Mn2Br4(dppeO2)2 (3) depending on the crystallization conditions.… read more here.
Keywords: one dimensional; dppeo2; geometry; ligand field ... See more keywords
A Modular Approach to Light Capture and Synthetic Tuning of the Excited-State Properties of Fe(II)-Based Chromophores.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c02451
Abstract: The development of chromophores based on earth-abundant transition metals whose photophysical properties are dominated by their charge-transfer excited states has inspired considerable research over the past decade. One challenge associated with this effort is satisfying… read more here.
Keywords: state; excited state; approach; ligand field ... See more keywords
Illuminating Ligand Field Contributions to Molecular Qubit Spin Relaxation via T1 Anisotropy.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c08729
Abstract: Electron spin relaxation in paramagnetic transition metal complexes constitutes a key limitation on the growth of molecular quantum information science. However, there exist very few experimental observables for probing spin relaxation mechanisms, leading to a… read more here.
Keywords: spin relaxation; anisotropy; relaxation; ligand field ... See more keywords
Environmental screening and ligand-field effects to magnetism in CrI3 monolayer
Sign Up to like & getrecommendations! Published in 2021 at "npj Computational Materials"
DOI: 10.1038/s41524-021-00631-4
Abstract: We study the microscopic origin of magnetism in suspended and dielectrically embedded CrI 3 monolayer by down-folding minimal generalized Hubbard models from ab initio calculations using the constrained random phase approximation. These models are capable… read more here.
Keywords: environmental screening; monolayer; field effects; screening ligand ... See more keywords
A slowly magnetic relaxing SmIII monomer with a D5h equatorial compressed ligand field
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic chemistry frontiers"
DOI: 10.1039/d0qi00326c
Abstract: By using a bi-dentate phosphine oxide ligand L (L = bis(diphenylphosphino)methane dioxide), two mono-nuclear lanthanide complexes [LnL2(DMF)Cl2]Cl (Ln = Sm, 1; Dy, 2) with a D5h equatorial ligand field (LF) are obtained. Ab initio CASSCF… read more here.
Keywords: ligand field; slowly magnetic; d5h equatorial; magnetic relaxing ... See more keywords
Ligand field-actuated redox-activity of acetylacetonate†
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc01836h
Abstract: The quest for simple ligands that enable multi-electron metal–ligand redox chemistry is driven by a desire to replace noble metals in catalysis and to discover novel chemical reactivity. The vast majority of simple ligand systems… read more here.
Keywords: ligand field; ligand; redox activity;
Multicenter interactions and ligand field effects in platinum(II) tripyrrindione radicals.
Sign Up to like & getrecommendations! Published in 2023 at "Dalton transactions"
DOI: 10.1039/d3dt00894k
Abstract: The tripyrrin-1,14-dione biopyrrin, which shares the scaffold of several naturally occurring heme metabolites, is a redox-active platform for metal coordination. We report the synthesis of square planar platinum(II) tripyrrindiones, in which the biopyrrin binds as… read more here.
Keywords: tripyrrindione radicals; tripyrrindione; multicenter interactions; interactions ligand ... See more keywords