Search results for "dipole"
showing 10 items of 982 documents
Magnetic field-induced alignment of molecular rotor-shaped cyclophanes
2010
Molecular pinwheels consisting of dipolar substituted cyclophanes in solution can function as free microscopic rotors in the presence of a homogeneous static magnetic field B and a circularly polarized electric field E rotating on a plane containing B. Owing to the high magnetic anisotropy of [26](1,2,3,4,5,6)cyclophane and [36](1,2,3,4,5,6)cyclophane biased by strong ring currents, ∼1 in 105 molecules are expected to align with the C6 symmetry axis perpendicular to a magnetic field of 21 T. The magnetic-field-controlled alignment of rotor-shaped cyclophanes is insignificantly affected by nonpolar solvents, for example, toluene.
Solvatochromy and symmetry breaking in two quadrupolar oligophenylenevinylenes
2020
Electrooptical absorption measurements (EOAM), solvatochromic dependences and quantum chemical simulations testify to large dipole moments change of two quadrupolar oligophenylenevinylenes upon transition to Franck-Condon excited state μeFC. The values of the dipole moments μg and μeFC are in the range [(4.2 - 4.9)1030] C m and (30.8 - 47.0)1030C m, respectively. The relations of dipole moments in the ground and excited states determined by EOAM correlate well with results obtained via the solvatochromic method. Calculations carried out by density functional theory (DFT) show that optimized configuration of the ground state of these molecules is not planar. The results from all methods appl…
Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculations
1972
Ab initio calculations for CH2 twisting and CC stretching vibrational wavefunctions and energy levels are reported for various electronic states of ethylene C2H4. Electronic transition moments between these states are also obtained to allow a calculation of the oscillator strengths for vibrational transitions involved in various electronic band systems; from this study it is concluded that thevertical electronic energy differenceΔE e may differ significantly from the energy of the absorption maximumΔE max with which it is often equated. In particular it is found in the case of theπ→π * singlet-singlet excitation of ethylene that theΔE e value overestimates the most probable vibrational tran…
Single-crystal EPR study of the bimetallic ferrimagnetic chain MnCu(EDTA)·6H2O
1993
Abstract A single-crystal EPR study of the bimetallic chain compound MnCu(EDTA)·6H2O is reported. The angular dependence of the linewidth is discussed in relation to the magnetic dipole-dipole interaction, manganese zerofield splitting (ZFS) and copper hyperfine coupling. The calculation of the second moments indicates that ZFS is comparable to the dipolar contribution. The EPR data support the one-dimensional character of the compound.
Searches for Large-Scale Anisotropy in the Arrival Directions of Cosmic Rays Detected above Energy of $10^{19}$ eV at the Pierre Auger Observatory an…
2014
Spherical harmonic moments are well-suited for capturing anisotropy at any scale in the flux of cosmic rays. An unambiguous measurement of the full set of spherical harmonic coefficients requires full-sky coverage. This can be achieved by combining data from observatories located in both the northern and southern hemispheres. To this end, a joint analysis using data recorded at the Telescope Array and the Pierre Auger Observatory above 1019 eV is presented in this work. The resulting multipolar expansion of the flux of cosmic rays allows us to perform a series of anisotropy searches, and in particular to report on the angular power spectrum of cosmic rays above 1019 eV. No significant devia…
Investigations of Chl a aggregates cross-linked by dioxane in 3-methylpentane
1997
In this work, dioxane-bound aggregates of chlorophyll a are prepared in 3-methylpentane. The properties of the aggregates are studied by using steady-state and time-resolved spectroscopies. The Q -region absorption spectrum of the y chlorophyll a-dioxane aggregate shows four clearly resolvable narrow bands with comparable intensities. The band maxima are located at 683, 689, 698 and 702 nm. The emission spectrum consists of two emission bands centred at 699 and 702 nm suggesting the presence of two types of aggregates. High degree of fluorescence polarization is detected yielding the angles between the absorption transition moments with respect to the 702 nm emission transition moment. The …
Flow properties and hydrodynamic interactions of rigid spherical microswimmers.
2017
We analyze a minimal model for a rigid spherical microswimmer and explore the consequences of its extended surface on the interplay between its self-propulsion and flow properties. The model is the first order representation of microswimmers, such as bacteria and algae, with rigid bodies and flexible propelling appendages. The flow field of such a microswimmer at finite distances significantly differs from that of a point-force (Stokeslet) dipole. For a suspension of microswimmers, we derive the grand mobility matrix that connects the motion of an individual swimmer to the active and passive forces and torques acting on all the swimmers. Our investigation of the mobility tensors reveals tha…
CCSD-CTOCD static dipole shielding polarizability for quantification of the chiral NMR effects in oxaziridine derivatives
2014
Chiral discrimination by nuclear magnetic resonance (NMR) spectroscopy might be achieved through the pseudo-scalar derived from the dipole shielding polarizability tensor. Coupled Cluster Singles and Doubles-Quadratic Response (CCSD-QR) calculations inside the continuous translation of the origin of the current density formalism have been carried out to determine the effects of basis set, electron correlation, and gauge translation on the determination of this magnitude in oxaziridine derivatives. Inclusion of electronic correlation is needed for adequately describing the pseudo-scalar for the heavier nuclei, making CCSD a rigorous and affordable method to compute these high order propertie…
Explicit Characterization of Inclusions in Electrical Impedance Tomography
2001
In electrical impedance tomography one seeks to recover the spatial conductivity distribution inside a body from knowledge of the Neumann--Dirichlet map. In many practically relevant situations the conductivity is smooth apart from some inhomogeneities where the conductivity jumps to a higher or lower value. An explicit characterization of these inclusions is developed in this paper. To this end a class of dipole-like indicator functions is introduced, for which one has to check whether their boundary values are contained in the range of an operator determined by the measured Neumann--Dirichlet map. It is shown that this holds true if and only if the dipole singularity lies inside the inhom…
Magnetic fields in heavy ion collisions: flow and charge transport
2020
At the earliest times after a heavy-ion collision, the magnetic field created by the spectator nucleons will generate an extremely strong, albeit rapidly decreasing in time, magnetic field. The impact of this magnetic field may have detectable consequences, and is believed to drive anomalous transport effects like the Chiral Magnetic Effect (CME). We detail an exploratory study on the effects of a dynamical magnetic field on the hydrodynamic medium created in the collisions of two ultrarelativistic heavy-ions, using the framework of numerical ideal MagnetoHydroDynamics (MHD) with the ECHO-QGP code. In this study, we consider a magnetic field captured in a conducting medium, where the conduc…