Polymorphic transition in p-dihlorbenzol nanoparticles

TL;DR

This study investigates the low-frequency Raman spectra of p-dichlorobenzene nanoparticles, revealing a polymorphic transition from one structural form to another at a specific nanoparticle size, supported by experimental and computational methods.

Contribution

It provides experimental Raman spectra data for p-dichlorobenzene nanoparticles and demonstrates a size-dependent polymorphic transition supported by molecular dynamics and spectral calculations.

Findings

Polymorphic transition occurs at 70 nm nanoparticle size.

Raman spectra show coexistence of two structural forms.

Experimental results align with computational predictions.

Abstract

We have obtained experimentally the low frequency Raman spectra of p-dihlorbenzol nanoparticles. Nanoparticle sizes are determined with the help of electron microscope. It was found that in the lattice vibration spectra from 70 nm the summary spectrum of {\alpha}-paradihlorbenzola and {\beta}-paradihlorbenzol structures appears. It agrees with both calculations of nanoparticle structure by molecular dynamics and calculations of spectra histograms of the lattice vibrations by a Dyne's method.