Tunnelling splitting in the phosphine molecule

Abstract

Splitting due to tunnelling via the potential energy barrier has played a significant role in the study of molecular spectra since the early days of spectroscopy. The observation of the ammonia doublet led to attempts to find a phosphine analogous, but these have so far failed due to its considerably higher barrier. Full dimensional, variational nuclear motion calculations are used to predict splittings as a function of excitation energy. Simulated spectra suggest that such splittings should be observable in the near infrared via overtones of the ${\nu }_2$ bending mode starting with $4{\nu }_2$.

References in corpus (5)

• ExoMol: molecular line lists for exoplanet and other atmospheres
• A variationally computed line list for hot NH3
• ExoMol line lists VII: The rotation-vibration spectrum of phosphine up to 1500 K
• A Computed Room Temperature Line List for Phosphine
• Spectroscopic parameters of phosphine, PH3, in its ground vibrational state

Cited by in corpus (6)

• Phosphine Gas in the Cloud Decks of Venus
• A variationally computed room temperature line list for AsH${}_3$
• Molecular line shape parameters for exoplanetary atmospheric applications
• Exactly solvable double-well potential in Schrödinger equation for inversion mode of phosphine molecule
• Anomalous phosphine sensitivity coefficients as probes for a possible variation of the proton-to-electron mass ratio
• Using HITRAN to Model Opacities for Planetary Atmospheres: Test case of Microwave Spectra of NH${}_3$, SO${}_2$ and PH${}_3$