Search results for "rotation"
showing 10 items of 935 documents
The rotational spectrum of 17O2 up to the THz region
2016
Abstract The investigation of the pure rotational spectrum of the 17O2 isotopic species of molecular oxygen has been extended with respect to previous investigations to the submillimeter-wave region, from 230 GHz up to 1.06 THz. The resulting spectroscopic parameters, which have an accuracy comparable to that of the constants obtained from an updated isotopic invariant fit involving data for three electronic states and six isotopologues [Yu et al. High resolution spectral analysis of oxygen. IV. Energy levels, partition sums, bandconstants, RKR potentials, Franck–Condon factors involving the X 3 Σ g − , a 1 Δ g , and b 1 Σ g + states. J Chem Phys 2014;141:174302/1–12], permit the prediction…
High-resolution spectroscopy and analysis of the stretching dyad of osmium tetroxide
2011
Abstract OsO4 is a heavy tetrahedral molecule that may constitute a benchmark for quantum chemistry calculations. Its favorable spin statistics (due to the zero nuclear spin of oxygen atoms) is such that only A1 and A2 rovibrational levels are allowed, leading to a dense, but quite easily resolved spectrum. Most lines are single ones, instead of complex line clusters as in the case of other heavy spherical-tops like SF6, for instance. It is thus possible to fully assign and fit the spectrum and to obtain precise experimental effective molecular parameters. The strong ν 3 stretching fundamental has been studied a long time ago as an isolated band [McDowell RS, Radziemski LJ, Flicker H, Galbr…
A direct study of the vibrational bending effect in line mixing: The hot degenerate 1110 ← 0110 transition of CO2
1997
Abstract The study of the isotropiv Raman Q -branch of a hot band Π ← Π allows one to establish a direct connection between the vibration-rotation angular momentum coupling and the resulting spectra. Due to the l -doubling, the Q -branch is split into two subbranches characterized by either even or odd rotational quantum number j . The vibrational bending reduces the rotational transfer rates inside each of these subbranches by a factor of about two and induces an inter-subbranch coupling. The expected propensity rule towards conservation of the parity index for high rotational levels is well observed. Calculated spectra are in excellent agreement with CARS experiments for the v 1 + v 2 ← v…
Three-dimensional axisymmetric cloak based on the cancellation of acoustic scattering from a sphere.
2013
This Letter presents the design, fabrication, and experimental characterization of a directional threedimensional acoustic cloak for airborne sound. The cloak consists of 60 concentric acoustically rigid tori surrounding the cloaked object, a sphere of radius 4 cm. The major radii and positions of the tori along the symmetry axis are determined using the condition of complete cancellation of the acoustic field scattered from the sphere. They are obtained through an optimization technique that combines genetic algorithm and simulated annealing. The scattering cross section of the sphere with the cloak, which is the magnitude that is minimized, is calculated using the method of fundamental so…
top data system ( TDS) software for infrared spectrum simulation of asymmetric molecules: some improvements to the TDS packages
2005
Abstract The spherical top data system (STDS) program suite developed in Dijon has been extended with the aim of studying any rovibrational band or polyad of XY 2 Z 2 ( C 2 v ) asymmetric top molecules. We work in the O ( 3 ) ⊃ T d ⊃ C 2 v chain because these species result from the substitution of two ligands of a corresponding “parent” spherical top and thus are relatively close to tetrahedral symmetry. The choice of this group chain has consequences on the method used to specify the input parameters of the programs for Hamiltonian and transition moment model calculations. One example concerning the ground state of the SO2F2 quasi-spherical molecule is presented. As before, this suite con…
C4v Top Data System (C4v TDS) software for infrared spectrum simulation of XY5Z symmetric molecules
2002
Abstract The Highly spherical Top Data System program suite developed in Dijon has been extended in the aim of studying any rovibrational band or polyad of XY5Z (C4v) symmetric top molecules. We work in the O(3)⊃Oh⊃C4v chain because most of these species result from the substitution of one ligand of the corresponding spherical tops and thus are relatively close to octahedral symmetry. The choice of this group chain has consequences in the way in which it is used to specify the input parameters of the programs for Hamiltonian and transition moment model calculations. One example concerning the ν1/ν8 dyad of the SF 5 35 Cl molecule is presented. As before, this suite consists of a series of F…
New assignments in the 2μm transparency window of the 12CH4 Octad band system
2013
Abstract This paper reports new assignments of rovibrational transitions of 12 CH 4 bands in the range 4600–4887 cm −1 which is usually referred to as a part of the 2 μm methane transparency window. Several experimental data sources for methane line positions and intensities were combined for this analysis. Three long path Fourier transform spectra newly recorded in Reims with 1603 m absorption path length and pressures of 1, 7 and 34 hPa for samples of natural abundance CH 4 provided new measurements of 12 CH 4 lines. Older spectra for 13 CH 4 (90% purity) from JPL with 73 m absorption path length were used to identify the corresponding lines. Most of the lines in this region belong to th…
Proposal for a permanent magnet system with a constant gradient mechanically adjustable in direction and strength
2016
A design for a permanent magnet system is proposed that generates spatially homogeneous, constant magnetic field gradients, thus creating conditions suitable for MRI without gradient coils and amplifiers. This is achieved by superimposing a weak Halbach quadrupole on a strong Halbach dipole. Rotation of either the quadrupole or the entire magnet assembly can be used to generate two-dimensional images via filtered backprojection. Additionally, the mutual rotation of two quadrupoles can be used to scale the resulting gradient. If both gradients have identical strength the gradient can even be made to vanish. The concept is demonstrated by analytical considerations and FEM simulations. However…
Dynamics of anisotropic superparamagnetic particles in a precessing magnetic field.
2013
A bifurcation diagram for anisotropic magnetic particles in a precessing magnetic field is analyzed. It is found that a synchronous regime in the case of a prolate particle exists for all precession angles of the magnetic field if the frequency of field rotation is below some critical value. An oblate particle has a synchronous regime in a limited range of precession angle. To understand the flow of suspensions of these particles in precessing fields, it is essential to take into account the differing dynamics of prolate and oblate particles.
The magnetic hyperfine structure in the rotational spectrum of H2CNH
2010
Abstract The hyperfine structure in the ground-state rotational spectrum of methanimine was studied in the frequency range of 64–172 GHz by means of the Lamb-dip technique. This allowed to resolve, in some hyperfine components due to the 14N nucleus, doublets separated by only some tenth of kHz. We explain the splittings as due to magnetic interactions of the three protons with their molecular environment. The analysis of the experimental spectrum has been guided by quantum-chemical calculations of the hyperfine parameters.