Literature DB >> 26772575

Full empirical potential curves for the X(1)Σ(+) and A(1)Π states of CH(+) from a direct-potential-fit analysis.

Young-Sang Cho1, Robert J Le Roy1.   

Abstract

All available "conventional" absorption/emission spectroscopic data have been combined with photodissociation data and translational spectroscopy data in a global analysis that yields analytic potential energy and Born-Oppenheimer breakdown functions for the X(1)Σ(+) and A(1)Π states of CH(+) and its isotopologues that reproduce all of the data (on average) within their assigned uncertainties. For the ground X(1)Σ(+) state, this fully quantum mechanical "Direct-Potential-Fit" analysis yielded an improved empirical well depth of 𝔇e = 34 362.8(3) cm(-1) and equilibrium bond length of re = 1.128 462 5 (58) Å. For the A(1)Π state, the resulting well depth and equilibrium bond length are 𝔇e = 10 303.7(3) cm(-1) and re = 1.235 896 (14) Å, while the electronic isotope shift from the hydride to the deuteride is ΔTe = - 5.99(±0.08) cm(-1).

Entities:  

Year:  2016        PMID: 26772575     DOI: 10.1063/1.4939274

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  First Laboratory Detection of Vibration-Rotation Transitions of 12CH+ and 13CH+ and Improved Measurement of their Rotational Transition Frequencies.

Authors:  José L Doménech; Pavol Jusko; Stephan Schlemmer; Oskar Asvany
Journal:  Astrophys J       Date:  2018-04-13       Impact factor: 5.874

  1 in total

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