Abstract
The ground state bending levels of 11BH2 have been studied experimentally using a combination of low-resolution emission spectroscopy and high-resolution stimulated emission pumping (SEP) measurements. The data encompass the energy range below, through, and above the calculated position of the barrier to linearity. For the bending levels (0,3,0) and above, the data show substantial K-reordering, with the K"a = 1 levels falling well below those with K"a = 0. A comparison of the high-resolution rotationally resolved SEP data to our own very high level ab initio calculations of the rovibronic energy levels shows agreement approaching near-spectroscopic accuracy (a few cm−1). The data reported in this work provide very stringent tests for future theoretical treatments of this prototypical seven-electron free radical.
Document Type
Article
Publication Date
9-26-2017
Digital Object Identifier (DOI)
https://doi.org/10.1063/1.4990760
Funding Information
This material is based upon work supported by the National Science Foundation under Grant No. CHE-1106338. R.T. acknowledges financial support from the University of Bologna.
Repository Citation
Jin, Bing; Clouthier, Dennis J.; and Tarroni, Riccardo, "A Stimulated Emission Study of the Ground State Bending Levels of BH2 Through the Barrier to Linearity and Ab Initio Calculations of Near-Spectroscopic Accuracy" (2017). Chemistry Faculty Publications. 109.
https://uknowledge.uky.edu/chemistry_facpub/109
Notes/Citation Information
Published in The Journal of Chemical Physics, v. 147, issue 12, 124303, p. 1-13.
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The following article appeared in The Journal of Chemical Physics, v. 147, issue 12, 124303, p. 1-13 and may be found at https://doi.org/10.1063/1.4990760.