Revisiting the Conformational Equilibrium of 1,1,2-Trifluoroethane and 1,1,2,2-Tetrafluoroethane: An NBO Study

conformer in 1,1,2,2-tetrafluoroethane. Nevertheless, electron delocalization plays an essential role in ensuring that staggered conformations remain energy minima, as fully localized electronic structures would yield only a single conformer for each compound. These findings refine our understanding of hyperconjugative and electrostatic effects in fluorinated ethanes and provide a more nuanced framework for predicting conformational preferences in difluoromethyl-containing systems.