Experimental line broadening and line shift coefficients of the acetylene ν1 + ν3 band pressurized by hydrogen and deuterium and comparison with calculations

Theoretical and experimental values have been determined for the pressure broadening of the ν₁ + ν₃ band of acetylene by hydrogen and deuterium at 195 K, and experimental values of the pressure shifts have been determined. Theoretical values have been calculated on the basis of a recent potential energy surface using the close coupling scheme. We discuss the detailed contribution of the various rotational angular momenta of the perturbing gas and the ortho and para contribution to the total pressure broadening cross-sections. We give routes to circumvent the computational cost of such calculations. Experimental values have been measured using a tunable diode laser spectrometer assuming a Voigt line shape. These pressure broadening parameters are compared with measurements performed recently at room temperature and with present measurements performed at 195 K in the ν₁ + ν₃ band of acetylene. A satisfactory agreement is obtained with the present results and available ones at 295 K.     

Numerical simulation of acoustic holography with propagator adaptation: Application to a 3D disc

Acoustical holography can be used to identify the vibration velocity of an extended vibrating body. Such an inverse problem relies on the radiated acoustic pressure measured by a microphone array and on an a priori knowledge of the way the body radiates sound. Any perturbation on the radiation model leads to a perturbation on the velocity identified by the inversion process. Thus, to obtain the source vibration velocity with a good precision, it is useful to identify also an appropriate propagation model. Here, this identification, or adaptation, procedure rests on a geometrical interpretation of the acoustic holography in the objective space (here the radiated pressure space equipped with the L²-norm) and on a genetic algorithm.The propagator adaptation adds information to the holographic process, so it is not a regularisation method, which approximates the inverse of the model but does not affect the model. Moreover regularisations act in the variables space, here the velocities space. It is shown that an adapted model significantly decreases the quantity of regularisation needed to obtain a good reconstructed velocity, and that model adaptation improves significantly the acoustical holography results.In the presence of perturbations on the radiated pressure, some indications will be given on the interest or not to adapt the model, again thanks to the geometrical interpretation of holography in the objective space.As a numerical example, a disc whose vibration velocity on one of its sides is identified by acoustic holography is presented. On an industrial scale, this problem occurs due to the noise radiated by car wheels. The assessment of the holographic results has not yet been rigorously performed in such situations due to the complexity of the wheel environment made up of the car body, road and rolling conditions.     

Thermally reversible formation of microspheres through non-covalent polymer cross-linking

Bis-thymine units were used to noncovalently cross-link a complementary diamidopyridine-functionalized copolymer. Upon combination in noncompetitive solvents, discrete micron-scale spherical aggregates were formed arising from specific three-point polymer-cross-linker hydrogen bonding interactions. The diameter of these microspheres could be controlled through spacer structure. The cross-linking process was fully thermally reversible, with complete dissolution observed at 50 degrees C and reformation of the aggregates upon return to ambient temperature. This process could be repeated multiply, with lower particle dispersity observed arising from the annealing process.     

A Copper(I)-Catalyzed Sulfonylative Hiyama Cross-Coupling

An air-tolerant Cu-catalyzed sulfonylative Hiyama cross-coupling reaction enabling the formation of diaryl sulfones is described. Starting from aryl silanes, DABSO and aryliodides, the reaction tolerates a large variety of polar functional groups (amines, ketones, esters, aldehydes). Control experiments coupled with DFT calculations shed light on the mechanism, characterized by the formation of a Cu(I)-sulfinate intermediate via fast insertion of a SO₂ molecule.