Influence of cation and C[sbnd]H⋯Br hydrogen bond in benzene–bromobenzene mixture on stimulated Raman scattering

Abstract

Stimulated Raman scattering (SRS) of the aromatic CH stretching band is enhanced, and the frequency of CBr out-of-plane bending mode shifts upon laser-induced plasma generation in benzene–bromobenzene mixture. The effect of mixture ratio on the mechanism of SRS enhancement is attributed to the formation of cationic (benzene–bromobenzene)+ complexes under strong excitation conditions. When the volume ratio of benzene and bromobenzene is 1:2, the optimized trimer (bromobenzene–benzene–bromobenzene) leads to a shift of a Raman band, which could be due to the role of CH⋯Br hydrogen bond in the trimer. Results are consistent with Gaussian (EM64L-G09RevB.01) simulation data, which is performed at B3LYP/6-31G levels, which all geometries were fully optimized using the minimum analytical gradient method.