Origin of Crystallization Suppression in a New Amorphous Molecular White-Light-Generating Material

TL;DR

This study investigates the structural features of a novel amorphous white-light material, revealing that molecular disorder and core distortion inhibit crystallization and enhance infrared absorption, contributing to its optical properties.

Contribution

It provides new insights into how molecular disorder and core distortion suppress crystallization in a novel infrared-driven amorphous white-light material.

Findings

Structural disorder is essential for nonlinear optical effects.

Molecular cores are distorted, preventing crystallization.

Sulfur atoms form a vibrational network aiding infrared absorption.

Abstract

The microscopic structure of a new infrared-driven amorphous white-light-generating material was explored by X-ray diffraction, EXAFS and Reverse Monte Carlo simulation. In this material, structural disorder appears to be prerequisite for this nonlinear optical effect. The results are consistent with quantum chemical predictions, but it is also found that the molecular cores are distorted, which is identified as a crystallization inhibitor. Sulfur atoms thereby form a uniform vibrational network, which may be responsible for the high capability of the material to absorb infrared radiation.