- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Organometallic Complex Synthesis and Catalysis
- Organometallic Compounds Synthesis and Characterization
- Synthesis and characterization of novel inorganic/organometallic compounds
- Magnetism in coordination complexes
- Ferrocene Chemistry and Applications
- Metal complexes synthesis and properties
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Chemical Synthesis and Characterization
- Advanced Chemical Physics Studies
- Crystallography and Radiation Phenomena
- Advanced Condensed Matter Physics
- Radioactive element chemistry and processing
- Inorganic Chemistry and Materials
- Inorganic and Organometallic Chemistry
- Chemical Thermodynamics and Molecular Structure
- Crystal Structures and Properties
- Thermal and Kinetic Analysis
- Iron oxide chemistry and applications
- Molecular Junctions and Nanostructures
- Inorganic Fluorides and Related Compounds
- Advanced NMR Techniques and Applications
- Rare-earth and actinide compounds
Hebrew University of Jerusalem
2012-2021
Hebrew College
2018
Jerusalem College of Technology
2017
University West
2012
Texas A&M University
2009
University of Minnesota, Duluth
2009
Sapienza University of Rome
2009
Czech Academy of Sciences, Institute of Physics
2001-2007
Lawrence Berkeley National Laboratory
2007
University of California, Davis
2005-2007
Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution have already been profoundly affected by the application existing ...Read More
The Mössbauer spectra of 49 organo-tin compounds have been studied at liquid-nitrogen absorber temperatures, using a ceramic 119SnO2m source room temperature with parabolic motion spectrometer. linear relationship between isomer shift and ligand electronegativity suggested by Goldanskii for the type SnX4 has extended to mixed ligands. On basis observed isomer-shift range, percentage ionic character in is estimated as lying within an interval ±5% mean value ∼15%. Binuclear tin R3Sn—SnR3 show...
Redox properties of H(2)TFcP [TFcP(2-) = 5,10,15,20-tetraferrocenylporphyrin(2-)] were investigated using cyclic voltammetry, differential pulse and square-wave voltammetry methods in a large variety solvents electrolytes. When DMF, THF, MeCN used with TBAP as the supporting electrolyte, first oxidation wave was assigned to single four-electron process reflecting simultaneous all iron(II) centers into iron(III) H(2)TFcP. an o-DCB (1,2-dichlorobenzene)/TBAP combination electrochemical...
The hyperfine structure in the Mössbauer spectrum of Fe57 ferrocene and related compounds shows that bonding iron atom is not affected by ring substitution. temperature dependence fraction recoil-free absorption events these indicates Debye low (∼150°K) optical modes make only a minor contribution to reduction at temperature.
The synthesis and spectroscopic structural characterization of an extensive series acyclic, monomeric tetrylene dichalcogenolates formula M(ChAr)2 (M = Si, Ge, Sn, Pb; Ch O, S, or Se; Ar bulky m-terphenyl ligand, including two new acyclic silylenes) are described. They were found to possess several unusual features-the most notable which is their strong tendency display acute interligand, Ch-M-Ch, bond angles that often well below 90°. Furthermore, contrary normal steric expectations, the...
A comparison of the molecular structures mono-, di- and tetraborylated ferrocenes [Fc{B(R(1))(R(2))}] (R(1)/R(2)=Br/Br, Br/Fc, Br/Me, Me/Me, Me/OH, OMe/OMe), 1,1'-[fc{B(R(1))(R(2))}(2)] 1,1',3,3'-[Fe{C(5)H(3)(BMe(2))(2)}(2)] revealed boryl substituent(s) to be bent out Cp ring plane towards iron center. The corresponding dip angle alpha* decreases with decreasing Lewis acidity boron atom increasing degree borylation at ferrocene core. This trend is well reproduced by DFT calculations...
The synthesis and characterization of a series digermynes distannynes stabilized by terphenyl ligands are described. based on the Ar′ (Ar′ = C6H3-2,6(C6H3-2,6-iPr2)2) or Ar* (Ar* C6H3-2,6(C6H2-2,4,6-iPr3)2) platforms which were modified at meta para positions their central aryl rings to yield 4-X-Ar′ (4-X-Ar′ 4-X-C6H2-2,6(C6H3-2,6-iPr2)2, X H, F, Cl, OMe, tBu, SiMe3, GeMe3) 3,5-iPr2-Ar′ 3,5-iPr2-Ar*. compounds synthesized reduction germanium(II) tin(II) halide precursors with variety...
A series of symmetric divalent Sn(II) hydrides the general form [(4-X-Ar')Sn(mu-H)]2 (4-X-Ar' = C6H2-4-X-2,6-(C6H3-2,6-iPr2)2; X H, MeO, tBu, and SiMe3; 2, 6, 10, 14), along with more hindered asymmetric tin hydride (3,5-iPr2-Ar*)SnSn(H)2(3,5-iPr2-Ar*) (16) (3,5-iPr2-Ar* 3,5-iPr2-C6H-2,6-(C6H2-2,4,6-iPr3)2), have been isolated characterized. They were prepared either by direct reduction corresponding aryltin(II) chloride precursors, ArSnCl, LiBH4 or iBu2AlH (DIBAL), via a transmetallation...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSystematics of Mössbauer Isomer Shifts Iron-Organic CompoundsR. H. Herber, R. B. King, and G. K. WertheimCite this: Inorg. Chem. 1964, 3, 1, 101–107Publication Date (Print):January 1964Publication History Published online1 May 2002Published inissue 1 January 1964https://pubs.acs.org/doi/10.1021/ic50011a021https://doi.org/10.1021/ic50011a021research-articleACS PublicationsRequest reuse permissionsArticle Views290Altmetric-Citations86LEARN ABOUT...
Abstract The superbulky deca‐aryleuropocene [Eu(Cp BIG ) 2 ], Cp =(4‐ n Bu‐C 6 H 4 5 ‐cyclopentadienyl, was prepared by reaction of [Eu(dmat) (thf) DMAT=2‐Me N‐α‐Me 3 Si‐benzyl, with two equivalents H. Recrystallizyation from cold hexane gave the product a surprisingly bright and efficient orange emission (45 % quantum yield). crystal structure is isomorphic to those [M(Cp ] (M=Sm, Yb, Ca, Ba) shows typical distortions that arise ⋅⋅⋅Cp attraction as well excessively large displacement...
The ability to form molded or patterned metal-containing ceramics with tunable properties is desirable for many applications. In this paper we describe the evolution of a ceramic from polymer in which variation pyrolysis conditions facilitates control structure and composition, influencing magnetic mechanical properties. We have found that under nitrogen well-characterized cross-linked polyferrocenylsilane network derived ring-opening polymerization (ROP) spirocyclic [1]ferrocenophane...
A perfect tin! Two 15-nuclear tin metalloid clusters [Sn15Z6] (Z=N(2,6-iPr2C6H3)(SiMe2X); X=Me, Ph), having an unprecedented body-centered metal core (see picture; only N atoms of the amide ligands shown), were prepared by reduction appropriate amidotin(II) chloride with KC8 or Li[BHsBu3]. Mössbauer spectra showed two distinct quadrupole-splitting sites in ratio 1.5:1 for Sn9 and six amido-bound atoms. The term "metalloid cluster" was coined Schnöckel co-workers context Al chemistry to...
The N-heterocyclic stannylenes (NHSns), [(Dipp)N(CH2)nN(Dipp)Sn] (Dipp = 2,6- iPr2C6H3; n 2, 1; 3, 5) and [(tBu)N(CHMe)2N(tBu)Sn] (10) are competent ligands toward a variety of transition metal centers, as seen in the complexes [W(CO)5·1] (2), [(OC)4Fe(μ-1)2Fe(CO)4] (3), [(OC)4Fe(μ-1)Fe(CO)4] (4), [Fe(CO)4·5]n (6, 1 or 2), [(OC)4Fe(μ-5)Fe(CO)4] (7), [Ph3PPt(μ-1)2PtPPh3] (8), [Fe(CO)4·10] (11), [(η5-C5H5)(OC)2Mn·10] (12). X-ray crystallographic studies show that NHSns structurally largely...
Dilithiostannoles, which are aromatic tin-containing ring compounds, were proposed to have stannylene character, as judged from their NMR analysis. We herein report on the synthesis of silyl-substituted dilithiostannoles, characterized by spectroscopy and X-ray diffraction The derivatives also exhibit features characteristic dilithiostannoles such 7Li signals at high-field area no C–C bond alternation in stannole rings. Theoretical calculations 119Sn chemical shifts revealed that character...
The synthesis and characterization of a series heavier group 14 element (Ge, Sn, Pb) carbene homologues based on the electronically modified, 2,6-dimesityl substituted terphenyl ligands Ar#-3,5-iPr2, Ar#-4-SiMe3, Ar#-4-Cl (Ar#-3,5-iPr2 = C6H2-2,6-Mes2-3,5-iPr2; C6H2-2,6-Mes2-4-Cl; Ar#-4-SiMe3 C6H2-2,6-Mes2-4-SiMe3; Mes C6H2-2,4,6-Me3) are presented. consequences introducing electron withdrawing -releasing substituents solid state structures newly synthesized germylenes, stannylenes,...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMössbauer Effect in Iron Pentacarbonyl and Related CarbonylsR. H. Herber, W. R. Kingston, G. K. WertheimCite this: Inorg. Chem. 1963, 2, 1, 153–158Publication Date (Print):February 1963Publication History Published online1 May 2002Published inissue 1 February 1963https://pubs.acs.org/doi/10.1021/ic50005a040https://doi.org/10.1021/ic50005a040research-articleACS PublicationsRequest reuse permissionsArticle Views489Altmetric-Citations51LEARN ABOUT...
Rational design of materials for energy storage systems relies on our ability to probe these at various length scales. Solid-state NMR spectroscopy is a powerful approach gaining chemical and structural insights the atomic/molecular level, but its low detection sensitivity often limits applicability. This limitation can be overcome by transferring high polarization electron spins sample interest in process called dynamic nuclear (DNP). Here, we employ first time metal ion-based DNP pristine...
The Lewis acidity of boron in diboradiferrocene 1 is strongly enhanced through oxidation the iron atoms as evident from examination X-ray structural parameters mixed-valent cation 1+PF6 and further confirmed strong complexation MeCN to dication 22+(I3)2.
The lattice-dynamical properties of tetragonal (black) SnO (with space-group symmetry $\frac{P4}{\mathrm{nmm}}$) have been examined over the temperature range $78\ensuremath{\le}T\ensuremath{\le}300$ K by variable-temperature $^{119}\mathrm{Sn}$ M\"ossbauer-effect measurements. lattice calculated from dependence recoil-free fraction (assuming atomic mass) is 229 K. Using effective vibrating mass isomer shift (${M}_{\mathrm{eff}}=169$ g ${\mathrm{mol}}^{\ensuremath{-}1}$) leads to a 193...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLattice dynamics and hyperfine interactions in M2FeO4 (M = potassium(1+), rubidium(1+), cesium(1+)) M'FeO4 (M' strontium(2+), barium(2+))Rolfe H. Herber David JohnsonCite this: Inorg. Chem. 1979, 18, 10, 2786–2790Publication Date (Print):October 1, 1979Publication History Published online1 May 2002Published inissue 1 October 1979https://pubs.acs.org/doi/10.1021/ic50200a030https://doi.org/10.1021/ic50200a030research-articleACS PublicationsRequest...
The temperature-dependent behavior of the Mössbauer effect recoil-free fraction associated with some organotin absorbers was investigated in temperature range 68° to 330°K. It tentatively found that 119Sn compounds shows no systematic dependence on nearest-neighbor atom mass, ligand molecular weight, coordination number respect tin atom, macro or bulk chemical properties, isomer shift, quadrupole splitting. present investigation indicates, however, a polymeric lattice structure which...
The Mössbauer spectrum in a potassium ferrate absorber has been determined at 78° and 298°K using source of Co57 stainless steel. A single resonance line is observed with full width half-maximum 0.43 mm sec—1. This linewidth known to arise mainly the stainless-steel source, which indicates that quadrupole splitting peak less than 1 Mc isomer shift —0.69 sec—1 78°K —0.79 298°K. smaller predicted for 3d2 electron configuration, presumably because 3d density augmented by d3s hybridization...
A series of tin(II) triflate and chloride salts in which the cations are complexed by either cyclic or acyclic polyether ligands have well-characterized single-crystal X-ray structures investigated using a variety experimental computational techniques. Mössbauer spectroscopy illustrates that tend to valence electrons with higher s-character, solid-state NMR reveals marked differences between superficially similar salts. Cyclic voltammetry investigations corroborate results reveal substantial...
The resonance absorption of 14.4 keV gamma rays in Fe57 (Mössbauer effect) has been observed Fe(III) and Co(III) acetylacetonate, the former used as an absorber against a source Co57 diffused into metallic chromium, latter labeled K4Fe(CN)6 (38%Fe57) absorber. acetylacetonate spectrum shows single broad line (Γ½=1.83±0.09 mm sec—1) with isomer shift 0.50±0.09 sec—1. complex which can be resolved peak assigned to quadrupole split pair lines Fe(II). These data are interpreted terms chemical...
High-oxidation-state metal complexes with multiply bonded ligands are of great interest for both their reactivity as well fundamental bonding properties. This paper reports a combined spectroscopic and theoretical investigation into the effect apical ligand on spin-state preferences threefold symmetric iron(IV) tris(carbene) donor ligands. Specifically, singlet (S = 0) nitrido [{PhB(ImR)3}FeN], R tBu (1), Mes (mesityl, 2) related triplet 1) imido complexes, [{PhB(ImR)3}Fe(NR′)]+, Mes, R′...