Gauche-Trans Energy Differences in Dimethoxymethane and Dimethoxyethane

TL;DR

This study uses ab-initio calculations to determine the energy differences between gauche and trans conformers of Dimethoxymethane and Dimethoxyethane, providing insights into their conformational preferences.

Contribution

It introduces ab-initio SCF calculations with a double zeta basis set to analyze conformer energy differences in these molecules.

Findings

Gauche-trans energy differences were calculated for both molecules.

The rigid rotor approximation was used in the calculations.

Results contribute to understanding conformational stability.

Abstract

Ab-initio self consistent field calculations using double zeta Gaussian basis set expansions were performed on conformers of Dimethoxymethane and Dimethoxyethane. The gauche-trans energy differences using the rigid rotor approximation were calculated.