ABSTRACT
In the present paper, we study the interaction of associates (dimers and trimers) of 4-n-pentyl-4Î-cyanobiphenyl (5CB) with 1, 2-Diamino-4-nitrobenzene and N, N-Dimethyl-4-nitrosoaniline dye molecules. The structures of the intermolecular complexes were studied using hybrid functionals of the DFT method M06 and B3LYP with the 6-31 + G (d) basis set. The intermolecular binding energy of dyes with associates depends on the structure of the complexes and is about 5 kcal/mol. Vibrational spectra were calculated for all intermolecular systems. The electronic absorption spectra of dyes are sensitive to the structure of the mesophase. The pattern of the spectrum changes depending on the structure of the complex of the dimer or trimer with the dye molecule. The long-wavelength transition bands are characterized by shifts that are bathochromic for 1, 2-Diamino-4-nitrobenzene and hypsochromic for N, N-Dimethyl-4-nitrosoaniline.
ABSTRACT
Wind tunnel investigation of the sound wave attenuation by grid-generated turbulence is performed. The most influential parameters, such as the propagation distance, intensity of turbulent fluctuations and integral scale of the fluctuations are studied using an ultrasonic technique. The results are compared to the theoretical predictions available on the wave statistics. Theoretical predictions are well confirmed and partly extended. It is demonstrated that the ultrasonic technique provides the possibility of reproducing the main effects of atmospheric turbulence on sound propagation while benefiting from isolating the role of various parameters therefore sets of experimental data can be generated under laboratory conditions to benchmark further extensions of theoretical models and numerical simulations.
