Rovibrational characterization of X 2Sigma+ 11BH+ by the extrapolation of photoselected high Rydberg series in 11BH

The Journal of Chemical Physics
C Ricardo ViteriE R Grant

Abstract

Optical-optical-optical triple-resonance spectroscopy of (11)BH isolates high Rydberg states that form series converging to rotational state specific ionization potentials in the vibrational levels of (11)BH(+) from nu(+)=0 through 4. Limits defined by a comprehensive fit of these series to state-detailed thresholds yield rovibrational constants describing the X (2)Sigma(+) state of (11)BH(+). The data provide a first determination of the vibrational-rotational interaction parameter alpha(e)=0.4821 cm(-1) and a more accurate estimate of omega(e)=2526.58 cm(-1) together with the higher-order anharmonic terms omega(e)x(e)=61.98 cm(-1) and omega(e)y(e)=-1.989 cm(-1). The deperturbation and global fit of series to state-detailed limits also yield a precise value of the adiabatic ionization potential of (11)BH of 79 120.3+/-0.1 cm(-1), or 9.810 33+/-1x10(-5) eV. High precision is afforded here by the use of graphical analysis techniques, narrow-bandwidth laser systems, and an analysis of newly observed, high principal quantum number Rydberg states that conform well with Hund's case (d) electron-core coupling limit.

References

Jun 1, 2004·Physical Review Letters·A T GilkisonE R Grant

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Citations

Mar 9, 2007·The Journal of Chemical Physics·C Ricardo ViteriEdward R Grant
Dec 20, 2019·Physical Chemistry Chemical Physics : PCCP·D P MukhopadhyayG A Garcia
Jun 12, 2012·Journal of Chemical Theory and Computation·Peter R Tentscher, J Samuel Arey
Dec 30, 2021·The Journal of Physical Chemistry. a·Jiaxin ChenYongqing Li

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