Tunnelling splitting in the phosphine molecule
Chemical Physics
2016-09-21 v1
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 bending mode starting with .
Keywords
Cite
@article{arxiv.1609.06053,
title = {Tunnelling splitting in the phosphine molecule},
author = {Clara Sousa-Silva and Jonathan Tennyson and Sergey N. Yurchenko},
journal= {arXiv preprint arXiv:1609.06053},
year = {2016}
}