Search results for "ROTATIONAL"
showing 10 items of 381 documents
Intermolecular potential and rovibrational states of the H2O–D2 complex
2012
International audience; A five-dimensional intermolecular potential for H2O-D-2 was obtained from the full nine-dimensional ab initio potential surface of Valiron et al. [P. Valiron, M. Wernli, A. Faure, L. Wiesenfeld, C. Rist, S. Kedzuch, J. Noga, J. Chem. Phys. 129 (2008) 134306] by averaging over the ground state vibrational wave functions of H2O and D-2. On this five-dimensional potential with a well depth D-e of 232.12 cm (1) we calculated the bound rovibrational levels of H2O-D-2 for total angular momentum J = 0-3. The method used to compute the rovibrational levels is similar to a scattering approach-it involves a basis of coupled free rotor wave functions for the hindered internal r…
Determination of gas temperature of high-frequency low-temperature electrodeless plasma using molecular spectra of hydrogen and hydroxyl-radical
2012
Abstract In this study we determine gas temperature of He+H 2 , Ar+H 2 and Ne+H 2 high frequency electrodeless lamps using intensity distribution in rotational spectra of hydrogen molecule and hydroxyl radical. The measurement results show that OH rotational spectra can be successfully used for estimation of gas temperature of the high-frequency electrodeless lamps at very small amounts of hydrogen present in plasma. The analysis of the measurement results leads to the conclusion that in “pure” plasma the applied energy is used to heat plasma, while for the plasma with hydrogen addition the energy is used in chemical reactions.
Spherical top data system (STDS) software for the simulation of spherical top spectra
1998
Abstract The Spherical Top Data System (STDS) software package for the simulation of spherical top spectra is presented. It consists of a single UNIX script with self-explanatory arguments allowing the non-expert user to calculate spectra from the results of the high resolution analyses performed over the recent decades on this type of molecules. More than one hundred parameter files are presently available including various band systems of 16 molecular species (among which methane is the most documented) and various types of calculations: rovibrational energy levels, i.r. absorption, Raman scattering and Stark coefficients. STDS is freely accessible by anonymous ftp at jupiter.u-bourgogne.…
Rotation of methyl radicals in molecular solids.
2010
Electron spin resonance (ESR) measurements were carried out to study the rotation of methyl radicals (CH(3)) in solid carbon monoxide, carbon dioxide, and nitrogen matrices. The radicals were produced by dissociating methane by plasma bursts generated by a focused 193 nm ArF excimer laser radiation during the gas condensation on the substrate. The ESR spectra exhibit anisotropic features that persist over the temperature range examined, and in most cases this indicates a restriction of rotation about the C(2) symmetry axis. A nonrotating CH(3) was also observed in a CO(2) matrix. The intensity ratio between the symmetric (A) and antisymmetric (E) nuclear spin states was recorded as a functi…
Observation of octupole structures in radon and radium isotopes and their contrasting behavior at high spin
1997
Multinucleon transfer reactions have been used, for the first time, to populate high-spin bands of alternating parity states in {sup 218,220,222}Rn and {sup 222,224,226}Ra. The behavior of the angular momentum alignment with rotational frequency for the Rn isotopes is very different when compared with Ra and Th isotopes with N{approx}134, indicating a transition from octupole vibrational to stable octupole deformation. Throughout the measured spin range the values of {vert_bar}D{sub 0}/Q{sub 0}{vert_bar} remain constant for {sup 222}Ra and {sup 226}Ra and have a very small value for {sup 224}Ra, suggesting that the charge and mass distributions are not affected appreciably by rotations. {co…
Raman spectroscopy and crystal-field split rotational states of photoproducts CO and H2 after dissociation of formaldehyde in solid argon
2012
Raman signal is monitored after 248 nm photodissociation of formaldehyde in solid Ar at temperatures of 9–30 K. Rotational transitions J = 2 ← 0 for para-H2 fragments and J = 3 ← 1 for ortho-H2 are observed as sharp peaks at 347.2 cm−1 and 578.3 cm−1, respectively, which both are accompanied by a broader shoulder band that shows a split structure. The rovibrational spectrum of CO fragments has transitions at 2136.5 cm−1, 2138.3 cm−1, 2139.9 cm−1, and 2149 cm−1. To explain the observations, we performed adiabatic rotational potential calculations to simulate the Raman spectrum. The simulations indicate that the splitting of rotational transitions is a site effect, where H2 molecules can resi…
Differential Cross Sections and Product Rovibrational Distributions for (16)O + (32)O2 and (18)O + (36)O2 Collisions.
2015
We report rotationally resolved opacity functions, product rotational distributions, and differential cross sections for the (16)O + (16)O(16)O (v = 0,j = 1) → (16)O(16)O (v' = 0,j') + (16)O and (18)O + (18)O(18)O (v = 0,j = 1) → (18)O(18)O (v' = 0,j') + (18)O collisions calculated by a time-independent quantum mechanical method employing one of the latest potential energy surface of ozone [ Dawes ; et al. J. Chem. Phys. 2013 , 139 , 201103 ]. The results obtained for both collisional systems in the energy range 0.001-0.2 eV are examined, and interesting mass scaling effects have been discovered. The shapes of product angular distributions suggest a transition from an indirect to a direct s…
Rotational CARS thermometry at high temperature (1800 K) and high pressure (0.1-1.55 MPa)
2007
International audience; Dual-broadband rotational CARS (DB-RCARS) thermometry has been investigated at high temperature and high pressure. Single-shot measurements were performed at 1800 K, in air and nitrogen at pressures up to 1.55 MPa and in oxygen at pressures up to 0.5 MPa. For all conditions, the resonant signal contribution to the spectra clearly dominated over the non-resonant one, implying the high potential for DB-RCARS for temperature and concentration measurements also at the high temperatures and pressures used in the present investigation. The relative standard deviation was generally similar to 2% for single-shot data at pressures from 0.5 to 1.55 MPa. At the investigated tem…
Rotation-Invariant Texture Retrieval via Signature Alignment Based on Steerable Sub-Gaussian Modeling
2008
This paper addresses the construction of a novel efficient rotation-invariant texture retrieval method that is based on the alignment in angle of signatures obtained via a steerable sub-Gaussian model. In our proposed scheme, we first construct a steerable multivariate sub-Gaussian model, where the fractional lower-order moments of a given image are associated with those of its rotated versions. The feature extraction step consists of estimating the so-called covariations between the orientation subbands of the corresponding steerable pyramid at the same or at adjacent decomposition levels and building an appropriate signature that can be rotated directly without the need of rotating the im…
The hyperfine structure in the rotational spectra of D2(17)O and HD(17)O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen
2015
Guided by theoretical predictions, the hyperfine structures of the rotational spectra of mono- and bideuterated-water containing (17)O have been experimentally investigated. To reach sub-Doppler resolution, required to resolve the hyperfine structure due to deuterium quadrupole coupling as well as to spin-rotation (SR) and dipolar spin-spin couplings, the Lamb-dip technique has been employed. The experimental investigation and in particular, the spectral analysis have been supported by high-level quantum-chemical computations employing coupled-cluster techniques and, for the first time, a complete experimental determination of the hyperfine parameters involved was possible. The experimental…