Determination of the paradihlorobenzene and paradibromobenzene solid solutions nanoparticles structure via Raman spectra

TL;DR

This study investigates the Raman spectra of paradichlorobenzene and paradibromobenzene solid solution nanoparticles around 100 nm in size, revealing spectral shifts and structural insights through experimental and computational methods.

Contribution

It combines Raman spectroscopy, electron microscopy, and molecular dynamics to analyze the structure and spectral behavior of these nanoparticle solid solutions, providing new insights into their composition.

Findings

Raman frequencies decrease with nanoparticle size

Spectra are a sum of core and surface contributions

Structural calculations align with spectral observations

Abstract

We measured the small frequencies Raman spectrum of the paradihlorobenzene and paradihlorobenzene solid solution nanoparticles with the size about 100 nanometers. Values of frequencies of lines decrease. The size of nanoparticles was determined by the electronic microscope. Calculations of nanoparticles structure were done using the method of molecular dynamics and histograms of nanoparticles spectra were calculated via the Dyne's method. The result is that the Raman spectrum is the sum of spectra from the central part of the nanoparticle and superficial structures with smaller concentration of paradihlorobenzene.