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Abstract— <p>Potential energy surfaces of a neutral radical and an anion of the CH<sub>2</sub>CHO molecule are calculated. The effect of the presence of two alternative electronic configurations of the neutral molecule is analyzed. New data are presented on the dependence of the energies of the ground states of the radical and valence-bound negative ion on the key geometric parameters. The oscillator strengths of the transition between the valence-bound and dipole-bound anion states are determined.</p>

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Electronic and Spectral Properties of an Anion and a Radical of the CH2CHO Molecule

  • 期刊论文

  • 发表日期：

    2025年7月1日

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  • A. V. Mekshun,
  • A. A. Narits

摘要

Abstract—

Potential energy surfaces of a neutral radical and an anion of the CH2CHO molecule are calculated. The effect of the presence of two alternative electronic configurations of the neutral molecule is analyzed. New data are presented on the dependence of the energies of the ground states of the radical and valence-bound negative ion on the key geometric parameters. The oscillator strengths of the transition between the valence-bound and dipole-bound anion states are determined.