Search results for " symmetry"
showing 10 items of 701 documents
Reply to “Mirror Symmetry Breaking” of the Centrosymmetric CaCO3 Crystals with Amino Acids
2008
Properties and interactions – melting point of tribromobenzene isomers
2021
The melting points of tribromobenzene isomers are correlated with the number, nature and distribution of intermolecular interactions in their structures.
Synthesis of New Functionalized Discotic Liquid Crystals for Photoconducting Aplications
1996
Abstract The columnar structure of discotic liquid crystals has been shown to be well suited for electronic transport parallel to the columnar axis. To tailor the processibility and mesophase behavior of such materials, several hydroxytriphenylene derivatives were synthesized. These hydroxytriphenylenes can be converted into oligomers, networks or polymers. Further, they can be reduced to arenes which posses reactive sites for classical aromatic substitutions. A number of mixed tail triphenylene derivatives and fluorescent, low symmetry triphenylene discotic liquid crystals were synthesized and characterized.
Pearl-necklace structures of molecular brushes with rigid backbone under poor solvent conditions: A simulation study
2010
Bottle-brush polymers, where flexible side chains containing N=20 to 50 effective monomers are grafted to a rigid backbone, are studied by molecular dynamics simulations, varying the grafting density σ and the solvent quality. Whereas for poor solvents and large enough σ the molecular brush is a cylindrical object, homogeneous in axial direction, for intermediate values of σ an axially inhomogeneous structure of "pearl-necklace" type is formed. The "pearls," however, have a strongly nonspherical ellipsoidal shape, due to the fact that several side chains cluster together in one pearl, qualitatively consistent with predictions of Sheiko et al. [Eur. Phys. J. E 13, 125 (2004)] We analyze the …
Crystal structure and electronic properties of bis(mepirizole) copper(II) perchlorate. Correlation between the electronic spectrum and CuN4 chromopho…
1985
The crystal structure of the title compound has been determined from single-crystal x-ray diffraction data. The crystals are tetragonal, space group P42212, withz=2 in a unit cell of dimensionsa=b=9.575(2),c=16.135(5) A. The structure was solved by the usual Patterson and Fourier techniques, and was refined by least-squares analysis to an R value of 0.057 for 545 observed reflexions. Two mepirizole molecules are arranged in a flattened tetrahedral manner (average Cu-N, 1.974 A) around Cu, and coordinated through N atoms. The dihedral angle between N-Cu-N planes of the two ligands is 53.6+°. This geometry seems to result from steric interaction between the ligands. The e.s.r. spectrum is axi…
Orientation of the electric field gradient and ellipticity of the magnetic cycloid in multiferroic BiFeO3
2016
This work was supported by Uniwersytet Pedagogiczny.
Tetrakis(dimethoxyboryl)methane
2016
The title compound, tetrakis(dimethoxyboryl)methane (systematic name: octamethyl methanetetrayltetraboronate), C9H24B4O8or C[B(OMe)2]4, is a useful synthetic intermediate. Crystals of this compound at 102 K conform to the orthorhombic space groupPbcn. The molecules, which reside on sites of crystallographic twofold symmetry, have idealized -4 point symmetry like most other CX4molecules in which eachXgroup bears two non-H substituents at the 1-position. The central C atom has a slightly distorted tetrahedral coordination geometry, with C—B bond lengths of 1.5876 (16) and 1.5905 (16) Å. One of the methoxy groups is disordered over two sets of sites; the major component has an occupancy factor…
Single π0 production off neutrons bound in deuteron with linearly polarized photons
2021
The quasifree γ→d→π0n(p) photon beam asymmetry, Σ, has been measured at photon energies, Eγ, from 390 to 610 MeV, corresponding to center of mass energy from 1.271 to 1.424 GeV, for the first time. The data were collected in the A2 hall of the MAMI electron beam facility with the Crystal Ball and TAPS calorimeters covering pion center-of-mass angles from 49∘ to 148∘. In this kinematic region, polarization observables are sensitive to contributions from the Δ(1232) and N(1440) resonances. The extracted values of Σ have been compared to predictions based on partial-wave analyses (PWAs) of the existing pion photoproduction database. Our comparison includes the SAID, MAID and Bonn–Gatchina anal…
Effective charge from lattice QCD
2020
Using lattice configurations for quantum chromodynamics (QCD) generated with three domain-wall fermions at a physical pion mass, we obtain a parameter-free prediction of QCD's renormalisation-group-invariant process-independent effective charge, $\hat\alpha(k^2)$. Owing to the dynamical breaking of scale invariance, evident in the emergence of a gluon mass-scale, this coupling saturates at infrared momenta: $\hat\alpha(0)/\pi=0.97(4)$. Amongst other things: $\hat\alpha(k^2)$ is almost identical to the process-dependent (PD) effective charge defined via the Bjorken sum rule; and also that PD charge which, employed in the one-loop evolution equations, delivers agreement between pion parton di…
Spectroscopic signatures for planar equilibrium geometries in methyl-substituted oligothiophenes
2009
In recent studies it was demonstrated that temperature-dependent optical spectroscopy is a valuable tool for revealing the differences in the geometries of flexible molecules like oligothiophenes (OTs) in the ground (S0) and first excited (S1) electronic states, by examining the symmetry relations between the absorption and emission spectra: while at low temperature the spectra show mirror symmetry, pointing to planar geometries in S0 and S1, the symmetry relation breaks down at ambient temperature due to thermal population of torsional modes. In the present joint spectroscopic and theoretical study, we demonstrate that this behavior is also observed for di- and tetramethyl-substituted OTs,…