A5028667164- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Synthesis and characterization of novel inorganic/organometallic compounds
- Advanced Chemical Physics Studies
- Inorganic Fluorides and Related Compounds
- Organoboron and organosilicon chemistry
- Molecular Spectroscopy and Structure
- Coordination Chemistry and Organometallics
- Fluorine in Organic Chemistry
- Organometallic Complex Synthesis and Catalysis
- N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
- Chemical Thermodynamics and Molecular Structure
- Solid-state spectroscopy and crystallography
- Mass Spectrometry Techniques and Applications
- Catalytic Cross-Coupling Reactions
- Molecular Junctions and Nanostructures
- Electron and X-Ray Spectroscopy Techniques
- Free Radicals and Antioxidants
- Energetic Materials and Combustion
- Inorganic and Organometallic Chemistry
- Quantum, superfluid, helium dynamics
- Advanced NMR Techniques and Applications
- Chemical Reactions and Mechanisms
- Spectroscopy and Quantum Chemical Studies
Bielefeld University
2016-2025
Robert Bosch (Germany)
2021
Micron (United States)
2021
Micron Biomedical (United States)
2021
Harm Reduction Services
2021
Justus-Liebig-Universität Gießen
2017
Max Planck Institute for the Structure and Dynamics of Matter
2017
Faculty (United Kingdom)
2015
Institute of Inorganic Chemistry of the Slovak Academy of Sciences
2015
The first 1,4-distibabenzene-1,4-diide compound [(ADC)Sb]2 (5) based on an anionic dicarbene (ADC) (ADC=PhC{N(Dipp)C}2 , Dipp=2,6-iPr2 C6 H3 ) is reported as a bordeaux-red solid. Compound 5, featuring central six-membered C4 Sb2 ring with formally SbI atoms may be regarded base-stabilized cyclic bis-stibinidene in which each of the Sb bears two lone-pairs electrons. 5 undergoes 2 e-oxidation Ph3 C[B(C6 F5 )4 ] to afford [B(C6 ]2 (6) brick-red Each 6 has unpaired electron and lone-pair....
Abstract Tris[tetrafluoro‐4‐(trifluoromethyl)phenyl]borane (BTolF) was prepared by treating boron tribromide with tetrameric F 3 CC 6 4 ‐Cu I . The generated from MgBr and copper(I) bromide. Lewis acidities of BTolF evaluated the Gutmann–Beckett method calculated fluoride‐ion affinities are 9 10 %, respectively, higher than that tris(pentafluorophenyl)borane (BCF) even SbF 5 molecular structures BCF were determined gas‐phase electron diffraction, also single‐crystal X‐ray diffraction.
The covalent diamantyl (C28H38) and oxadiamantyl (C26H34O2) dimers are stabilized by London dispersion attractions between the dimer moieties. Their solid-state gas-phase structures were studied using a multitechnique approach, including single-crystal X-ray diffraction (XRD), electron (GED), combined GED/microwave (MW) spectroscopy study, quantum chemical calculations. inclusion of medium-range correlation as well energy in density functional theory is essential to reproduce experimental...
The problem of computation vibrational molecular parameters in models gas electron diffraction is discussed. Some peculiarities the standard for these purposes Shrink program are analysed. An alternative code has been written to implement well established Sipachev's first-order perturbation theory. It used calculation several molecules. Comparison obtained results shows that new outperforms available many aspects.
Abstract A bidentate pnictogen bonding host‐system based on 1,8‐diethynylanthracene was synthesized by a selective tin‐antimony exchange reaction and investigated regarding its ability to act as Lewis acidic host component for the complexation of basic or anionic guests. In this work, novel C≡C−Sb(C 2 F 5 ) unit established study potential antimony(III) sites representatives scarcely explored donors. The capability partly fluorinated system towards halide anions (Cl − , Br I ), dimethyl...
The isolation of silicon analogues phenyl anions such as (C
Carbocyclic aluminium halides [(ADC)AlX
Abstract Lithium carbenoids are versatile compounds for synthesis owing to their intriguing ambiphilic behavior. Although this class of has been known several years, few solid‐state structures exist because high reactivity and often low thermal stability. Using cryo X‐ray techniques, we were now able elucidate the first structure a Li/F alkyl carbenoid, pentafluoroethyllithium (LiC 2 F 5 ), finally yielding prototype investigating structure—reactivity relationships molecules. The compound...
Starting from ferrocene, pentafluoroferrocene [Fe(C5F5)(C5H5)] can be prepared in five steps via a one-pot lithiation-electrophilic fluorination strategy. Pentafluoroferrocene was characterized by multinuclear NMR and IR spectroscopy, cyclovoltammetry as well X-ray (solid) electron diffraction (gas) the experimental results compared with DFT calculations.
(F 5 C 2 ) SbCH P( t Bu) reacts in a FLP-like manner with CS , SO PhNCO/S and (MePh P)AuCl. The AuCl adduct show secondary interactions between the Lewis acidic Sb atom electron rich atoms, intra- intermolecular, respectively.
Abstract Base‐free 3‐methyl‐1‐boraadamantane was synthesized by starting from its known THF adduct, transforming it to a butylate‐complex with n ‐butyllithium, cleaving the cage acetyl chloride give 3‐ ‐butyl‐5‐methyl‐7‐methylene‐3‐borabicyclo[3.3.1]nonane and closing again reacting latter dicyclohexylborane. The identity of proven 1 H, 11 B 13 C NMR spectroscopy elemental analysis. experimental equilibrium structure free molecules has been determined at 100 °C using gas‐phase electron...
Gas-phase structures of two isomers dimethyl-substituted 1,5-diazabicyclo[3.1.0]hexanes, namely, 3,3-dimethyl- and 6,6-dimethyl-1,5-diazabicyclo[3.1.0]hexane molecules, have been determined by gas electron diffraction method. A new approach based on the Monte Carlo method has developed used for analysis precision accuracy refined structures. It was found that at 57 °C 3,3-dimethyl derivative exists as a mixture chair boat conformers with abundances 68(8)% 32(8)%, respectively....
Abstract Directed tridentate Lewis acids based on the 1,3,5‐trisilacyclohexane skeleton with three ethynyl groups [CH 2 Si(Me)(C H)] 3 were synthesised and functionalised by hydroboration HB(C 6 F 5 ) , yielding ethenylborane {CH Si(Me)[C H B(C ]} metalation gallium indium organyls affording M(R) (M=Ga, In, R=Me, Et). In synthesis of backbone influence substituents (MeO, EtO i PrO at Si) orientation methyl group was studied aim to increase abundance all ‐cis isomer. New compounds identified...
Abstract Die zweifache Deprotonierung der C2‐arylierten 1,3‐Imidazoliumsalze ((IPr‐Ar)X ( 1 ‐Ar)X (IPr‐Ar=ArC{N(Dipp)CH} 2 ; Ar=Ph, 4‐Me NC 6 H 4 (DMP) oder 4‐PhC (Bp); Dipp=2,6‐ i Pr C 3 ) mit n BuLi liefert die sogenannten anionischen Dicarbene Li(ADC) ‐Ar) (ADC=ArC{N(Dipp)C} ). ‐Ar können zur Herstellung einer Vielzahl von Hauptgruppenheterocyclen verwendet werden, ihre Strukturen im Festkörper sind jedoch bisher unbekannt. hier berichteten Einkristallröntgenbeugungsstudien zeigen eine...
The benzene radical anion (C6H6)●–, possessing a 7π‐electron count, is crucial intermediate in the Birch reduction and has been extensively studied both experimentally theoretically. Herein, we report tricyclic pnictogen cations [(ADC)E]2[B], [2‐E][B] (ADC = PhC{N(Dipp)C}2; Dipp 2,6‐iPr2C6H3; E P, As, Sb; [B] [B1] B(C6F5)4 or [B2] {3,5‐(CF3)2C6H3}) featuring central planar C4E2 ring embedded between two 1,3‐imidazole‐based anionic dicarbene (ADC) frameworks, as crystalline solids. are...
The benzene radical anion (C6H6)●–, possessing a 7π‐electron count, is crucial intermediate in the Birch reduction and has been extensively studied both experimentally theoretically. Herein, we report tricyclic pnictogen cations [(ADC)E]2[B], [2‐E][B] (ADC = PhC{N(Dipp)C}2; Dipp 2,6‐iPr2C6H3; E P, As, Sb; [B] [B1] B(C6F5)4 or [B2] {3,5‐(CF3)2C6H3}) featuring central planar C4E2 ring embedded between two 1,3‐imidazole‐based anionic dicarbene (ADC) frameworks, as crystalline solids. are...
Photoinduced biological and chemical reactions are often based on key structural transformations of a molecule driven across multiple electronic states. Acetylacetone (AcAc) is prototypical system for complex pathways involving several conical intersections (CI) singlet-triplet intersystem crossings (ISC) characterized by distinct geometries. In the gas phase, AcAc predominantly in planar ring-like enolic form stabilized strong intramolecular O-H···O hydrogen bond. Following excitation into...
Abstract Lithiumcarbenoide sind durch ihr faszinierendes ambiphiles Reaktionsverhalten vielseitig anwendbare Verbindungen in der Synthese. Obwohl diese Verbindungsklasse seit vielen Jahren bekannt ist, aufgrund ihrer hohen Reaktivität und geringen thermischen Stabilität nur wenige Molekülstrukturen im Festkörper bekannt. Die Verwendung von Kryo‐Techniken ermöglichte die Bestimmung ersten Molekülstruktur eines Li/F‐Alkylcarbenoids, Pentafluorethyllithium (LiC 2 F 5 ), mittels Röntgenbeugung....
Abstract A number of measures to increase the quality data recorded with an improved Balzers Eldigraph KD-G2 gas-phase electron diffractometer are discussed. The beam-stop has been decoupled from sector enabling us recording current primary beam and scattered electrons during experiment. Different beam-stops were tested for use in present setup. Modifications nozzle tip earlier described medium temperature reported. lead reduced exposure times amount sample necessary complete collection.
Abstract Tris[tetrafluor‐4‐(trifluormethyl)phenyl]boran (BTolF) wurde durch Reaktion von Bortribromid mit tetramerem F 3 CC 6 4 ‐Cu I hergestellt. Letzteres aus MgBr und Kupfer(I)‐bromid erzeugt. Die mittels der Gutmann‐Beckett‐Methode gemessenen berechneten Fluoridionenaffinitäten abgeschätzte Lewis‐Aciditäten BTolF sind 9 bzw. 10 % höher als die Tris(pentafluorphenyl)boran (BCF) sogar SbF 5 . Molekülstrukturen BCF wurden mithilfe Elektronenbeugung in Gasphase, auch...
Herein, we report on the synthesis, characterization, and reactivity studies of first cyclic C2 As2 -diradicaloid {(IPr)CAs}2 (6) (IPr = C{N(Dipp)CH}2 ; Dipp 2,6-iPr2 C6 H3 ). Treatment (IPr)CH2 (1) with AsCl3 affords Lewis adduct {(IPr)CH2 }AsCl3 (2). Compound 2 undergoes stepwise dehydrochlorination to yield {(IPr)CH}AsCl2 (3) {(IPr)CAsCl}2 (5 a) or [{(IPr)CAs}2 Cl]OTf b). Reduction 5 a (or b) magnesium turnings gives 6 as red crystalline solid in 90% yield. featuring planar ring is...
Abstract Cyclic organoalane compounds [(ADC Ar )AlH 2 ] (ADC = ArC{(DippN)C} ; Dipp 2,6‐ i Pr C 6 H 3 Ph or 4‐PhC 4 (Bp)) based on anionic dicarbene (ADC) frameworks have been reported as crystalline solids. Treatments of Li(ADC ) with LiAlH at room temperature afford the concomitant release LiH. Compounds are stable solids and freely soluble in common organic solvents. They annulated tricyclic an almost planar central Al ‐core embedded between two peripheral 1,3‐imidazole (C N rings. At...
A tetradentate host system with four CC–Sb(C 2 F 5 ) functions binds halide ions in a distorted square planar coordination. Experimental and calculated structures reveal complex interplay of attractive pnictogen bonding Coulomb repulsion.