Conformational composition of propanol in gaseous state and in matrix isolation

TL;DR

This study compares the conformational composition of propanol in gaseous form and in low-temperature argon matrix, revealing different dominant conformers in each environment through IR spectroscopy analysis.

Contribution

It provides new insights into how environmental conditions influence propanol's conformational distribution using IR spectral analysis.

Findings

Gaseous propanol is dominated by Gt conformers.

In argon matrix, Tg conformers are predominant.

Conformational composition varies significantly between environments.

Abstract

Conformational analysis of the experimentally recorded IR absorption spectra of propanol in a gaseous state and in a low-temperature argon matrix at 20 K and at 35 K was carried out for different spectral ranges. It showed that the conformational composition of the samples in gas and in matrix isolation is different. In gaseous propanol, Gt conformers predominate, while in matrix isolation the most energetically favorable form is Tg conformer, which prevails in percentage at both considered temperatures of an Ar matrix.