Michael Böhme

Michael Böhme
Friedrich Schiller University Jena | FSU · Department of Inorganic and Analytical Chemistry

Dr. rer. nat.

About

70
Publications
3,130
Reads
How we measure 'reads'
A 'read' is counted each time someone views a publication summary (such as the title, abstract, and list of authors), clicks on a figure, or views or downloads the full-text. Learn more
403
Citations
Additional affiliations
September 2020 - December 2021
Leibniz Institute Of Photonic Technology
Position
  • Researcher
Description
  • Forschungsgruppe Pandemiemanagement (UKJ, IPHT, Uni Erfurt); Arbeitsgruppe Heintzmann (IPHT)
April 2013 - July 2019
Friedrich Schiller University Jena
Position
  • PhD Student
Education
April 2013 - June 2019
Friedrich Schiller University Jena
Field of study
  • Chemistry
October 2007 - March 2013
Friedrich Schiller University Jena
Field of study
  • Chemistry

Publications

Publications (70)
Article
The new tritopic triaminoguanidine-based ligand 1,2,3-tris[(pyridine-2-ylmethylidene)amino]guanidine (H2pytag) was synthesized. The reaction of a mixture of cobalt(II) chloride and cobalt(II) perchlorate with the ligand H2pytag in pyridine solution leads to the formation of the trinuclear cobalt(II) complex [Co3(pytag)(py)6Cl3]ClO4. Three octahedra...
Article
The synthesis, structure, and magnetic properties of two mononuclear cobalt(II) complexes [Co(LSal,2-Ph)2] (1) and [Co(LNph,2-Ph)2] (2) are reported. The utilized sterically demanding Schiff-base ligands HLSal,2-Ph (2-(([1,1′-biphenyl]-2-ylimino)methyl)phenol) and HLNph,2-Ph (1-(([1,1′-biphenyl]-2-ylimino)methyl)naphthalen-2-ol) lead to a strong di...
Article
The trinuclear copper(II) complex [Cu3(saltag)(py)6]ClO4 (H5saltag = tris(2-hydroxybenzylidene)triaminoguanidine) was synthesized and characterized by experimental as well as theoretical methods. The complex exhibits a strong antiferromagnetic coupling (J = -298 cm⁻¹) between the copper(II) ions, mediated by the N-N diazine bridges of the tritopic...
Article
Dysprosium(III) ions are promising candidates for the design of single‐ion magnets (SIMs) as they show an intrinsic strong magnetic anisotropy. However, time‐demanding multireference methods are usually necessary to reproduce low‐lying magnetic states. In this work, we present an improved wave function‐based semiempirical ligand‐field (LF) theory a...
Article
Full-text available
Magnetic properties of coordination polymers like single-chain magnets (SCMs) are based on magnetic domains, which are formed due to magnetic exchange between neighboring anisotropic spin centers. However, the computational restrictions given by the high level of theory needed for an adequate ab initio quantum mechanical treatment on the basis of m...
Article
The new µ3‐methoxido bridged trinuclear vanadium(IV) complexes [VIV3O3(µ3‐OMe)(µ2‐OMe)3(L1,2)2] (1 and 2) have been synthesized using the azo ligands 1‐(2‐(thiazol‐2‐yl)diazenyl)naphthalene‐2‐ol (HL1) and 2‐(2‐(thiazol‐2‐yl)diazenyl)‐4‐methylphenol (HL2). X‐ray crystallography revealed a trinuclear structure with a lacunary heterocubane {(VO)3(µ3‐O...
Article
A large single crystal of a compound from the family of coordination polymer [Co(NCS)2(L)2]n chains was synthesized and its magnetic properties are reported. [Co(NCS)2(4-(3-phenylpropyl)pyridine)2]n is ferromagnetic with Tc = 3.39 K. Single-ion ab initio calculations predict an almost Ising-type magnetic anisotropy and the direction of the magnetic...
Article
Full-text available
We report on a cobalt(II)‐based spin triangle showing a significant spin‐electric coupling. The studied trinuclear complex [Co 3 (pytag)(py) 6 Cl 3 ]ClO 4 ∙3py, based on the tritopic ligand H 2 pytag (1,2,3‐tris[(pyridine‐2‐ylmethylidene)amino]guanidine), crystallizes in the acentric monoclinic space group P2 1 . In analogy with a previously invest...
Article
Full-text available
Eine Spin‐elektrische Kopplung wurde unter Nutzung von mit einem elektrischen Feld modulierter Elektronenspinresonanz (EFM‐ESR)‐Spektroskopie an Einkristallen eines Spindreiecks beobachtet, das durch starke magnetische Anisotropie der einzelnen Cobalt(II)‐Zentren und eine ausgeprägte Empfindlichkeit der molekularen Energiezustände auf die relative...
Article
Reaction of Co(NCS)2 with 4-bromopyridine leads to the formation of discrete complexes with the composition Co(NCS)2(4-bromopyridine)4·(CH3CN)0.67 (1), Co(NCS)2(4-bromopyridine)2(H2O)2 (2), Co(NCS)2(4-bromopyridine)2(CH3OH)2 (3) and Co(NCS)2(4-bromopyridine)2(CH3CN)2 (4). Upon heating compounds 2 and 4 transform into a crystalline product with the...
Article
Three new nickel phosphonate complexes {[Na2Ni8(L)6] · nSolv}m (L = SAA3– (1), BSAA3– (2), NAA3– (3); Solv = H2O, MeOH; m = ¥ (1, 2), 1 (3)) were synthesized. All three complexes possess a novel octanuclear {Ni8} phosphonate core, which consists of four dinuclear doubly oxygen-bridged units, further interconnected to each other by phosphonate oxyge...
Article
Reaction of Co(NCS)2 with different coligands leads to the formation of three compounds with the general composition [Co(NCS)2(L)2] n (L = aniline (1), morpholine (2), and ethylenethiourea (3)). In all of these compounds the cobalt(II) cations are octahedrally coordinated by two trans thiocyanate N and S atoms and the apical donor atoms of the coli...
Article
Full-text available
The pentanuclear nickel(II) complex [Ni5(saltagBr)2(tptz)4] (Ni5) with the tritopic triaminoguanidine‐derived Schiff‐base ligand H5saltagBr (1,2,3‐tris[(5‐bromosalicylidene)amino]guanidine) and tptz (2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine) as capping ligands is reported. Ni5 crystallizes in the triclinic space group [[EQUATION]] with the central nick...
Article
Two different isomers of [Co(NCS)2(4-chloropyridine)2] n (3C and 3L) were synthesized from solution and by thermal decomposition of Co(NCS)2(4-chloropyridine)2(H2O)2 (2), which show a different metal coordination leading to corrugated chains in 3C and to linear chains in 3L. Solvent mediated conversion experiments prove that 3C is thermodynamically...
Article
Full-text available
The trinuclear nickel(II) complex [Ni3(saltagtBu)(bpy)3(H2O)3]Cl (H5saltagtBu = 1,2,3‐tris[(5‐tert‐butylsalicylidene)amino]guanidine) was synthesized and characterized by experimental as well as theoretical methods. The complex salt crystallizes with three molecules of dimethylformamide (dmf) and water as [Ni3(saltagtBu)(bpy)3(H2O)3]Cl·3dmf·3H2O (1...
Article
Invited for the cover of this issue is the group of Michał Rams at Jagiellonian University (Kraków, Poland) and colleagues at Christian‐Albrechts‐Universität zu Kiel, Friedrich‐Schiller‐Universität Jena, and Helmholtz‐Zentrum Berlin. The image represents a 1D coordination polymer with Co(II) spins that are flipped by photons during an EPR experimen...
Article
The magnetic properties of single‐chain magnets investigated by sophisticated THz EPR spectroscopy are reported in this work. The cover artwork depicts an artistic view of CoII spins in a 1D coordination polymer that are flipped by impulses of synchrotron radiation during an EPR experiment. More information can be found in the Full Paper by M. Rams...
Article
Full-text available
The cobalt(II) cations in [Co(NCS) 2 (4‐methoxypyridine) 2 ] n are linked by pairs of thiocyanate anions into linear chains. In contrast to a previous structure determination, two crystallographically independent cobalt(II) centers are present. In the antiferromagnetic state, below T c = 3.94 K and H c = 290 Oe, slow relaxations of ferromagnetic ch...
Cover Page
Full-text available
Magnetic properties of coordination polymers like single-chain magnets (SCMs) are based on magnetic domains, which are formed due to magnetic exchange between neighboring anisotropic spin centers. However, the computational restrictions imposed by the high level of theory needed for an adequate ab initio quantum mechanical treatment on the basis of...
Article
Full-text available
Correction for ‘Magnetic relaxation in cobalt( ii )-based single-ion magnets influenced by distortion of the pseudotetrahedral [N 2 O 2 ] coordination environment’ by Michael Böhme et al. , Dalton Trans. , 2018, 47 , 10861–10873.
Thesis
Full-text available
In this thesis, quantum chemical methods were used to study the magnetochemistry of 3d transition metal and lanthanide-based systems. Along this line, ab initio multi-reference methods such as CASSCF as well as CASPT2 and calculations based on density functional theory were used. The focus was on the additional gain of information through the appli...
Cover Page
Full-text available
The Front Cover shows a scene illustrating the need to investigate the properties of building blocks for complex systems to enable the basic design of new functional materials. It shows a model of the investigated paddle-wheel complexes with copper-bonded triphenylamines. Both paddle-wheel units and triarylamine linkers are basic constituents found...
Article
Invited for this month's cover picture is the group of Professor Winfried Plass at the Institute of Inorganic and Analytical Chemistry, Friedrich Schiller University, Jena (Germany). The cover picture shows a scene illustrating the need to investigate the properties of building blocks for complex systems to enable the basic design of new functional...
Article
Full-text available
Four new triphenylamine ligands with different substituents in the para position and their corresponding copper(II) complexes are reported. This study includes their structural, spectroscopic, magnetic, and electrochemical properties. The complexes possess a dinuclear copper(II) paddle‐wheel core, a building unit that is also common in metal‐organi...
Cover Page
Full-text available
On page 2697, Michael Böhme and Winfried Plass present the program rhOver. Based on a ligand‐field approach, it utilizes the so‐called diamagnetic‐electrostatic pseudo‐potential (DEPP) derived from Hartree‐Fock calculations. RhOver allows for an efficient and accurate determination of basic magnetic properties of dysprosium (III) complexes by repla...
Cover Page
Full-text available
Molecular electronic spin qubits from a spin-frustrated trinuclear copper complex
Cover Page
Full-text available
Magnetic relaxation in cobalt(II)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N2O2] coordination environment
Article
Synthesis, X-ray structure, and spectral characterization of three ethoxido-bridged oxidovanadium(IV) dinuclear complexes derived from azo ligands are described. The evaluation of the magnetic susceptibility data and DFT studies revealed unprecedented antiferromagnetic coupling for the twisted arrangement of the edge-shared bridging core. The compl...
Article
Full-text available
Five new lanthanide(III) sandwich and half-sandwich complexes with bulky cyclooctatetraenyl ligands have been prepared and fully characterized, including single-crystal X-ray structure determination. Treatment of anhydrous lanthanide(III) chlorides, LnCl3 (Ln = Pr, Tb, Yb), with 2 equiv. of Li2COT'' (COT'' = 1,4-bis(trimethylsilyl)-cyclooctatetraen...
Article
[Co(NCS)2(py)2]n (py = pyridine) is composed of ferromagnetic chains of Co(II) cations connected by double NCS bridges. The chains are irregular because of two crystallographically inequivalent Co(II) cations. The coordination polyhedron of the Co(II) cations is a distorted octahedron built from two N and two S atoms of four equatorial NCS anions a...
Article
Two new transition metal thiocyanate coordination polymers with the composition [Co(NCS)2(4-vinylpyridine)2]n (1) and [Co(NCS)2(4-benzoylpyridine)2]n (2) were synthesized and their crystal structures have been determined. In both compounds the Co cations are octahedrally coordinated by two trans-coordinating 4-vinyl- or 4-benzoylpyridine co-ligands...
Article
Reaction of cobalt(II) and nickel(II) thiocyanate with ethylisonicotinate leads to the formation of [M(NCS)2(ethylisonicotinate)2]n with M = Co (2-Co) and M = Ni (2-Ni), which can also be obtained by thermal decomposition of M(NCS)2(ethylisonicotinate)4 (M = Co (1-Co), Ni (1-Ni)). The crystal structure of 2-Ni was determined by single crystal X-ray...
Article
Two novel dioxidomolybdenum(VI) complexes [MoO2L′1] (1) and [MoO2L′2] (2) containing the MoO22+ motif with unexpected coordination motifs due to ligand rearrangement through Mo-mediated interligand C–C bond formation are reported. The ligands (H2L′1–2) are tetradentate C–C-coupled O2N2-donor systems formed in situ during synthesis of the complexes...
Article
The sugar-modified Schiff-base ligands derived from benzyl 2-deoxy-2-salicylideneamino-α-d-glucopyranoside (H2L(5-Br) and H2L(3-OMe)) were used to prepare the chiral oxidovanadium(v) complexes [VO(L(5-Br))(OMe)] () and [VO(L(3-OMe))(OMe)] () which can be isolated from a methanol solution as the six-coordinate complexes with an additional methanol l...

Network

Cited By

Projects

Projects (2)
Project
Theoretical investigation of Co(II)-based single-chain magnets (SCMs), coordination polymers, and magnetic compounds on the basis of CASSCF/CASPT2/SO-RASSI and DFT (BS-DFT and CDFT) calculations.