Search results for "vibration"
showing 10 items of 823 documents
Binding Sites, Vibrations and Spin-Lattice Relaxation Times in Europium(II)-Based Metallofullerene Spin Qubits.
2021
Abstract To design molecular spin qubits with enhanced quantum coherence, a control of the coupling between the local vibrations and the spin states is crucial, which could be realized in principle by engineering molecular structures via coordination chemistry. To this end, understanding the underlying structural factors that govern the spin relaxation is a central topic. Here, we report the investigation of the spin dynamics in a series of chemically designed europium(II)‐based endohedral metallofullerenes (EMFs). By introducing a unique structural difference, i. e. metal‐cage binding site, while keeping other molecular parameters constant between different complexes, these manifest the ke…
Rotor bar pre-fault detection in the squirrel cage induction motors
2015
The paper deals with a diagnosis technique to detect and monitor incipient faults in the rotor bars of squirrel gage induction motors. The failure mode analysis is performed monitoring the motor axial vibrations. To accomplish the task, the authors present a mathematical model that allows relating the occurrence and the severity of the faults to the presence and the magnitude of some frequency components of the axial vibration spectrum. To validate the proposed approach, the results obtained by applying the mathematical model are compared with the ones obtained by experimental tests done on both healthy and faulty motors.
MgO/Ag(100): confined vibrational modes in the limit of ultrathin films
2003
The vibrational modes of clean MgO films are investigated vs film thickness by means of high-resolution electron energy-loss spectroscopy. For thin films (20\char21{}30 monolayers) we observe, in accord with the literature, the Fuchs-Kliewer phonon at $677{\mathrm{cm}}^{\ensuremath{-}1}$ and the Wallis mode at $524{\mathrm{cm}}^{\ensuremath{-}1}.$ For ultrathin films standing wave optical phonons confined in the overlayer are present, whose frequencies depend strongly on film thickness. Comparison with theoretical calculations for MgO slabs on a perfect conductor shows that the experimental frequencies are lower than expected, indicating the presence of compressive stress. At and below one-…
Signatures of noise-enhanced stability in metastable state
2005
The lifetime of a metastable state in the transient dynamics of an overdamped Brownian particle is analyzed, both in terms of the mean first passage time and by means of the mean growth rate coefficient. Both quantities feature non monotonic behaviors as a function of the noise intensity, and are independent signatures of the noise enhanced stability effect. They can therefore be alternatively used to evaluate and estimate the presence of this phenomenon, which characterizes metastability in nonlinear physical systems.
Molecular materials with conducting and magnetic properties based on ET and [ M(tdas)2]x-dithiolenes
2004
Two hybrid molecular materials showing a combination of magnetic and conducting properties, the charge-transfer (ET) 2 [Fe(tdas) 2 ] (1) and (ET)Ni(tdas) 2 (2), (ET=bis(ethylenedithio) tetrathiafulvalene; M=Fe, Ni; tdas=l,2,5-thiadiazole-3,4-dithiolate) salts, are characterized by vibrational (IR and Raman) and UV-VIS-NIR spectroscopies. These studies have proved to be effective and diagnostic tools in identifying the oxidation state (partial or integer) and the packing pattern (dimers or segregated stacks) of the ET donor only, since no v(C=C) group vibration sensitive to the charge of M(tdas) 2 complexes has been observed. This is ascribed to the extensive electron-delocalization inside t…
Assignment of the Absolute Configuration and Total Synthesis of (+)-Caripyrin
2014
The antifungal secondary metabolite (+)-caripyrin was studied by vibrational circular dichroism spectroscopy. Analysis of the recorded data, with the Boltzmann weighted-average of the spectra calculated at the B3LYP/6-311G(d,p) level of theory for all relevant conformers, unequivocally proved the (R,R)-configuration for the dextrorotatory natural product. Based on this finding, a short enantioselective synthesis of (+)-caripyrin was developed.
Über polyplumbane
1985
Abstract Diplumbanes Pb 2 R 3 R′ 3 (R,R′ = Ph, o -Tol, p -Tol) have been synthesized from R 3 PbLi and R′ 3 PbCl at −60°C in THF. Mass, 13 C and 207 Pb NMR spectra of the products exhibit migrations of R, R′ in the transition state (R 3 PbLi + ClPbR′ 3 ) leading to a complex distribution of the substituents (δ( 207 Pb) with respect to PbMe 4 −70 to −95 ppm). The PbPb stretching vibration (100 to 115 cm −1 ) couples with a lattice vibration giving rise to a single intensive Raman line. The crystal structure of Pb 2 Ph 3 ( p -Tol) 3 has been determined and refined to R = 0.155. Two independent molecules are disordered and have identical distribution of the substituents Ph( p -Tol) 2 PbPbPh …
Are there dynamical effects in enzyme catalysis? Some thoughts concerning the enzymatic chemical step.
2015
Highlights • The possible role of enzymatic reaction dynamical effects is examined. • Solution reactions usefully inform the issue of dynamical effects in enzymes. • Division into regions containing and away from the transition state is important. • Motions in passage to/from the transition state need not lead to dynamical effects. • Transition State Theory is usually a reasonable description of enzyme kinetics.
Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones
2002
Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3â•ÂO)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones. For the C7 atom a reverse substituent effect attributed to extended À-polarization was observed. On the other hand, the DSP approaches for the C3 atom showed normal substituent effects with some contribution of reverse effect supported strongly by 13C-SCS correlations. In the ν(C3â•ÂO) and p(C3â•ÂO) DSP correlations the field effect contribution predominates over the resonance effect, which justifies the using of earlier suggested vibrational cou…
Experimental and numerical study of noise effects in a FitzHugh-Nagumo system driven by a biharmonic signal
2013
Using a nonlinear circuit ruled by the FitzHugh-Nagumo equations, we experimentally investigate the combined effect of noise and a biharmonic driving of respective high and low frequency F and f. Without noise, we show that the response of the circuit to the low frequency can be maximized for a critical amplitude B of the high frequency via the effect of Vibrational Resonance (V.R.). We report that under certain conditions on the biharmonic stimulus, white noise can induce V.R. The effects of colored noise on V.R. are also discussed by considering an Ornstein-Uhlenbeck process. All experimental results are confirmed by numerical analysis of the system response.