Search results for "ROTATIONAL"

Microwave, High-Resolution Infrared, and Quantum Chemical Investigations of CHBrF2: Ground and v4 = 1 States

2011

A combined microwave, infrared, and computational investigation of CHBrF(2) is reported. For the vibrational ground state, measurements in the millimeter- and sub-millimeter-wave regions for CH(79)BrF(2) and CH(81)BrF(2) provided rotational and centrifugal-distortion constants up to the sextic terms as well as the hyperfine parameters (quadrupole-coupling and spin-rotation interaction constants) of the bromine nucleus. The determination of the latter was made possible by recording of spectra at sub-Doppler resolution, achieved by means of the Lamb-dip technique, and supporting the spectra analysis by high-level quantum chemical calculations at the coupled-cluster level. In this context, the…

Moving multi-loads problem in layered cracked beams with interlayer slip

2017

This contribution concerns the vibration response of layered cracked uniform beams with interlayer slip under moving multiple loads. Considering a linear constitutive relation between the horizontal slip and the interlaminar shear force, the Euler-Bernoulli hypothesis is assumed to hold for each layer separately. Modeling cracks as internal elastic rotational joints, related discontinuities of the response variables are treated by the theory of generalized functions. In this manner, exact eigenfunctions are derived from a characteristic equation built as determinant of 6x6 matrix, for any number of cracks. Building pertinent orthogonality conditions for the deflection eigenfunctions, the re…

Theoretical rotational constants of MeCnN species

1990

Abstract By means of SCF HF “ab initio” calculations with STO-3G and 6-31G basis sets, the geometric parameters of methylcyanopolyynes (MeCnN n=3, 5, 7 and 9) have been obtained. B0=0.3748 GHz for MeC7N and B0=0.2708 GHz for MeC9N, with a STO-3G basis set, were obtained. Both species, unstable in the laboratory, are still undetected in the interstellar medium, although their existence is very probable.

Measurement of rotational relaxation in the ground state of methane perturbed by argon at low temperature

1999

International audience; Relaxation processes at low temperature in methane perturbed by argon have been investigated on the basis of new measurements. Diode laser absorption spectra of methane in the region of the dyad nu2/nu4 in supersonic expansions have been recorded. The time of relaxation of the ground state mean rotational energy was derived from the observed dependences of the rotational temperature on the concentration in the jet. A semi-classical model was used to calculate the state-to-state relaxation rate constants at room temperature. The evaluation of the time of relaxation of the mean rotational energy using semi-empirical temperature dependence laws is presented and discusse…

Geological and geomorphological aspects of the landslide of the Cathedral of Agrigento (Sicily-Italy)

2014

Rotational Correlation Functions of Single Molecules

2004

Single molecule rotational correlation functions are analyzed for several reorientation geometries. Even for the simplest model of isotropic rotational diffusion our findings predict non-exponential correlation functions to be observed by polarization sensitive single molecule fluorescence microscopy. This may have a deep impact on interpreting the results of molecular reorientation measurements in heterogeneous environments.

General relativistic simulations of pasive-magneto-rotational core collapse with microphysics

2007

This paper presents results from axisymmetric simulations of magneto-rotational stellar core collapse to neutron stars in general relativity using the passive field approximation for the magnetic field. These simulations are performed using a new general relativistic numerical code specifically designed to study this astrophysical scenario. The code is based on the conformally-flat approximation of Einstein's field equations and conservative formulations of the magneto-hydrodynamics equations. The code has been recently upgraded to incorporate a tabulated, microphysical equation of state and an approximate deleptonization scheme. This allows us to perform the most realistic simulations of m…

How important is roaming in the photodegradation of nitrobenzene?

2020

At low excitation energies nitrobenzene photoreleases NO with low translational and rotational energy, while at higher excitation energies NO is photoreleased with both low and high translational and rotational energy. The fast products are formed through a singlet-triplet crossing (STC) region featuring an oxaziridine ring, while a ground state roaming mechanism was suggested to produce the slow molecules. Computing translational and rotational energies performing CASSCF classical dynamics, we here prove how the same oxaziridine STC can account for both fast and slow photoproducts, depending on the region of the seam through which the ground state is populated. A roaming-type STC/CI has al…

Damping of rotor conical whirl by asymmetric dry friction suspension

2009

Abstract A new technique for the rotor whirl damping in rotating machinery, based on the elastic suspension of the journal boxes and the use of dry friction surfaces normal to the shaft axis between their supports and the frame, is here analysed theoretically for several cases of rotor systems characterized by mass and constraint asymmetry, where gyroscopic effects are to be expected and conical whirl motions may grow up. The critical flexural speeds can be easily cut off by an adhesive state of the supports and the whirl amplitude can be minimized as well throughout the remaining sliding range. Confining the operative angular speed of the rotor in the range of adhesive contact between the …

High-resolution stimulated Raman spectroscopy of O2

1992

Abstract The S S and O O branches of the fundamental vibrational band of molecular oxygen in its electronic ground state have been resolved for the first time in Raman spectroscopy. The spectra have been observed, at room temperature and low pressure, with a stimulated Raman scattering (S.R.S.) spectrometer including a multipass cell. From these accurate Raman data combined with microwave data, we have improved the values of the vibrational, rotational, spin-spin, and spin-rotation interactions constants in the v = 1 vibrational state. Moreover, Raman Q branches of the first and second hot-bands have been recorded, allowing us to determine a set of molecular parameters for the v = 2 and v =…