Search results for "ROTATIONAL"
showing 10 items of 381 documents
The bending triad of the quasi-spherical top molecule SO2F2 in the 550 cm(-1) region
2006
International audience; The analysis of the v(3)/v(7)/v(9) bending triad of SO2F2 has been recently performed with the Watson's Hamiltonian up to octic terms employing 79 rovibrational parameters but including only the first order Coriolis interaction terms, fixed to ab initio values [H. Burger, J. Demaison, F. Hegelund, L. Margules, I. Merke, J. Mol. Struct. 612 (2002) 133-141]. Since SO2F2 is a quasi-spherical top, it can also be considered as derived from the SO42- sulfate ion. We have thus developed a new tensorial formalism in the O(3) > Td > C2v group chain [M. Rotger, V. Boudon, M. Loete, J. Mol. Spectrosc. 216 (2002) 297-307]. This approach allows a systematic development of rovibra…
Very high rotational frequencies and band termination in 73Br
2000
Rotational bands in 73Br have been investigated up to spins of 65/2 using the EUROBALL III spectrometer. One of the negative-parity bands displays the highest rotational frequency 1.85 MeV reported to date in nuclei with mass number greater than 25. At high frequencies, the experimental dynamic moment of inertia for all bands decrease to very low values, indicating a loss of collectivity. The bands are described in the configuration-dependent cranked Nilsson-Strutinsky model. The calculations indicate that one of the negative-parity bands is observed up to its terminating single-particle state at spin 63/2. This result establishes the first band termination case in the A = 70 mass region.
Low temperature optical spectroscopy of cobalt-substituted hemocyanin from Carcinus maenas
1993
In this work we report the optical absorption spectra of three cobalt-substituted derivatives of hemocyanin (He) from Carcinus maenas, in the temperature range 300–20 K. The derivatives studied are the mononuclear (Co2+)-He with a single cobalt ion in the “CuA” site, the binuclear (Co2+)2-He and the binuclear mixed metal (Co2+-Cu1+)-He. At low temperature three main bands are clearly resolved; the temperature dependence of their zeroth, first and second moments sheds light on the stereodynamic properties in the surroundings of the chromophore. Within the limits of the reported analysis, in the binuclear derivatives the motions coupled to the chromophore appear to be “essentially harmonic” i…
The bromine nuclear quadrupole moment revisited
2013
For the bromine atom and the hydrogen bromide molecule, we report results for the electric-field gradient at the bromine nucleus based on quantum-chemical calculations. Highly accurate values are obtained by using coupled-cluster methods for the treatment of electron correlation, by minimising remaining basis-set effects through the use of large atomic-orbital sets, and by taking into account relativistic effects. For hydrogen bromide, zero-point vibrational corrections are considered as well. The obtained results for the bromine electric-field gradients are used to derive values for the Br-79 quadrupole moment: 308.1 and 309.3 mb based on data for the bromine atom and hydrogen bromide, res…
Improved rotation invariant pattern recognition using circular harmonics of binary gray level slices
2000
We introduce a new rotation invariant pattern recognition method based on nonlinear correlation. The images are decomposed into disjoint binary slices and then correlated using the common linear correlation. This operation is very discriminant even when the target is embedded in strong noise. We extend our sliced orthogonal nonlinear generalized correlation method to rotation invariant pattern recognition by combining the information of a circular harmonic (CH) of each binary slice of the reference object with binary slices of the target. In addition to improved discrimination capability, the method avoids the time-consuming process of finding proper centers for the CHs. Results are present…
Bonding in the heavy analogue of hydrogen cyanide: the curious case of bridged HPSi.
2010
The bonding of firstand second-row elements differ dramatically. The simplest unsaturated silicon hydrides Si2H2 and Si2H4 exhibit quite unusual geometries [1] compared to the analogous hydrocarbon molecules. For example, the most stable form of Si2H2 is nonplanar with C2v symmetry and two bridging H atoms, in sharp contrast to linear acetylene, HC! CH. Phosphorus and nitrogen share many of the same bonding characteristics, but P prefers single over multiple bonds. For these reasons, it may be difficult to predict the most stable isomeric arrangement, even for a small molecule with a single Por Si atom and especially when it contains both. Silicon–phosphorus bonds are important in materials…
Deuteron n.m.r. in relation to the glass transition in polymers
1985
Abstract 2H n.m.r. is introduced as a tool for investigating slow molecular motion in the glass transition region of amorphous polymers. In particular, we compare 2H spin alignment echo spectra of chain deuterated polystyrene with models for restricted rotational Brownian motion. Molecular motion in the polystyrene-toluene system has been investigated by analysing 2H n.m.r. of partially deuterated polystyrene and toluene, respectively. The diluent mobility in the mixed glass has been decomposed into ‘solid’ and ‘liquid’ components where the respective average correlation times differ by more than 5 decades.
STUDIES OF STRUCTURE AND DYNAMICS OF SOLID POLYMERS BY ELASTIC AND INELASTIC NEUTRON SCATTERING
1979
Neutron scattering methods can be applied to solid polymers in order to investigate the structure of the bulk material as well as the nature of the molecular motion. A review of some recently performed studies is presented. Diffusional motion in crystals of chain molecules has been studied by means of quasielastic scattering for the case of n-C33H68 as an example for the relationship between structure and molecular motion. It can be shown that below the so-called rotational transition the paraffin crystals exhibit two types of molecular motion: a translational jump (τt = 0.5 10-8s) and a 180°-rotational jump (τr = 2.5 10-8s). The low frequency vibrations in n-alkanes as models of polyethyle…
Restricted rotation in unbridged sandwich complexes: rotational behavior of closo-[Co(eta 5-NC4H4)(C2B9H11)] derivatives.
2005
Rotation about the centroid/ metal/centroid axis in ferrocene is facile; the activation energy is 1-5 kcal mol - 1 . The structurally similar sandwich complexes derived from closo-[3-Co(η 5 -NC 4 H 4 )-1,2-C 2 B 9 H 1 1 ] (1) have a different rotational habit. In 1, the cis rotamer in which the pyrrolyl nitrogen atom bisects the carboranyl cluster atoms is 3.5 kcal mol - 1 more stable in energy than the rotamer that is second lowest in energy. This cis rotamer is wide, spanning 216°, and may be split into three rotamers of almost equal energy by substituting the N and the carboranyl carbon atoms adequately. To support this statement, closo-[3-Co(η 5 -NC 4 H 4 )-1,2-(CH 3 ) 2 -1,2-C 2 B 9 H …
Performance Test of Various Teeth Diameter of Cylinder Type Sago Rasping Machine
2021
Traditional method of sago starch extraction was a time and labor intensive process. The most laborious stage is pith disintegration which is done by using hammer-like tools called pounder. However, the use of rasping machine to disintegrate the pith is saving time and energy significantly. The objective of this study was to investigate the effect of teeth diameter and cylinder rotation speed on performance of cylinder type sago rasping machine. In the experiment, four variations of teeth diameter i.e. 3mm, 4 mm, 5 mm and 6 mm, and three levels of cylinder rotation speed i.e. 1500 rpm, 2000 rpm and 2500 rpm were examined. Results showed that both teeth diameter and cylinder rotation speed s…