Search results for " symmetry"
showing 10 items of 701 documents
Electronic Structure and Bonding of Icosahedral Core–Shell Gold–Silver Nanoalloy Clusters Au144–xAgx(SR)60
2011
Atomically precise thiolate-stabilized gold nanoclusters are currently of interest for many cross-disciplinary applications in chemistry, physics and molecular biology. Very recently, synthesis and electronic properties of "nanoalloy" clusters Au_(144-x)Ag_x(SR)_60 were reported. Here, density functional theory is used for electronic structure and bonding in Au_(144-x)Ag_x(SR)_60 based on a structural model of the icosahedral Au_144(SR)_60 that features a 114-atom metal core with 60 symmetry-equivalent surface sites, and a protecting layer of 30 RSAuSR units. In the optimal configuration the 60 surface sites of the core are occupied by silver in Au_84Ag_60(SR)_60. Silver enhances the electr…
Role of the central gold atom in ligand-protected biicosahedral Au 24 and Au25 clusters
2013
The crystal structures of the ligand-protected clusters [Au24(PPh3)10(SC2H4Ph)5Cl2]+ and [Au25(PPh3)10(SC2H4Ph)5Cl2]2+ have been elucidated recently, and they comprise the same biicosahedral structural motif for the Au core. The only difference is the central Au atom joining two icosahedra which is absent in the Au24 cluster. On the basis of density functional simulations, we have evaluated the structural, electronic, optical, and vibrational properties of the clusters in question with a full presentation for the thiolate and phosphine side groups. Our spherical harmonics analysis of the electronic structure shows that the chemical stability of both clusters can be understood based on an 8 …
Magnetic polyoxometalates: anisotropic exchange interactions in the moiety of [(NaOH2)Co3(H2O)(P2W15O56)2]17-.
2005
The magnetic exchange interactions in a C0(3)(11) moiety encapsulated in Na(17) [(NaOH(2))Co(3)(H(2)O)(P(2)W(15)O(56))(2)] (NaCo(3)) were studied by a combination of magnetic measurements (magnetic susceptibility and low-temperature magnetization), with a detailed Inelastic Neutron Scattering (INS) investigation. The novel structure of the salt was determined by X-ray crystallography. The ferromagnetic Co(3)O(14) triangular cluster core consists of three octahedrally oxo-coordinated Co(II) ions sharing edges. According to the single-ion anisotropy and spin-orbit coupling usually assumed for octahedral Co(II) ions, the appropiate exchange Hamiltonian to describe the ground-state properties o…
Electron paramagnetic resonance and magnetic circular dichroism of Gd3+ ions in oxyfluoride glass–ceramics containing CaF2 nanocrystals
2015
Abstract Magnetic resonance investigations of the Gd3 + centre structure in the oxyfluoride glass and glass–ceramics (GCs) have been carried out. The electron paramagnetic resonance (EPR) measurements showed the presence of low symmetry Gd3 + centres in the glass sample. The cubic Gd3 + centre appeared in the glass–ceramics after heat treatment of the samples at temperatures above 650 °C. The magnetic circular dichroism (MCD) measurements of both glass and glass–ceramics showed wide absorption band around 310 nm. In the GC samples MCD–EPR of the cubic Gd3 + centre has been detected.
Magnetism in Polyoxometalates: Anisotropic Exchange Interactions in the Co Moiety of [Co3W(D2O)2(ZnW9O34)2]12−—A Magnetic and Inelastic Neutron Scatt…
2002
The ground-state properties of a Co moiety encapsulated in a polyoxometalate anion were investigated by combining measurements of specific heat, magnetic susceptibility, and low-temperature magnetization with a detailed inelastic neutron scattering (INS) study on a fully deuterated polycrystalline sample of Na12[Co3W(D2O)2(ZnW9O34)2]⋅40 D2O (Co3). The ferromagnetic Co3O14 cluster core consists of three octahedrally oxo-coordinated CoII ions. According to the single-ion anisotropy and spin–orbit coupling of the octahedral CoII ions, the appropriate exchange Hamiltonian to describe the ground-state properties of the Co3 spin cluster is anisotropic and is expressed as ℋ=−2Σ(JŜ1αŜ2α+JŜ2αŜ3α), w…
Chiral Symmetry And Low Energy Pion Photoproduction
1992
The low energy theorem based on chiral symmetry for the photoproduction of neutral pions from proton at threshold is reviewed in the light of recent experimental results from Saclay and Mainz. There is no appreciable disagreement at threshold but the energy dependence of the threshold amplitude remains unexplained. A critique of the assumptions made in deriving low energy theorems by various methods is presented.
Bag models and hadron structure
2008
We review the fundamental ideas leading to the basic assumptions behind the bag model description of hadron structure and explore in some detail the so called MIT bag model. We discuss the relevance of chiral symmetry and incorporate it in a bag model scheme by adding a pion field. We show perturbative techniques of calculating gluonic and pionic effects. We discuss the consequences of the solitonic nature of the hedgehog solution of the pion field and introduce the skyrmion bag model. We end up by drawing some conclusions of our study and discussing recent developments in this area.
Chiral expansion of the nucleon mass to order q^6
2006
We present the results of a complete two-loop calculation at order q^6 of the nucleon mass in manifestly Lorentz-invariant chiral perturbation theory. The renormalization is performed using the reformulated infrared renormalization, which allows for the treatment of two-loop integrals while preserving all relevant symmetries, in particular chiral symmetry.
The role of resonances in chiral perturbation theory
1989
32 páginas, 2 figuras, 5 tablas.-- BUTP-88-18 ; CERN-TH-5185-88 ; CPT-2158 ; UWTHPH-1988-29.
In-medium pi-pi Correlation Induced by Partial Restoration of Chiral Symmetry
2000
We show that both the linear and the non-linear chiral models give an enhancement of the pi-pi cross section near the 2pi threshold in the scalar-iso-scalar (I=J=0) channel in nuclear matter. The reduction of the chiral condensate, i.e., the partial chiral restoration in nuclear matter, is responsible for the enhancement in both cases. We extract an effective 4pi-nucleon vertex which is responsible for the enhancement but has not been considered in the non-liear models for in-medium pi-pi interaction. Relation of this vertex and a next-to-leading order terms in the heavy-baryon chiral lagrangian, L_piN^(2), is also discussed.