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Erratum: “Re-examination of the Cs<sub>2</sub> ground singlet X<sup>1</sup>Σ<sub>g</sub> <sup>+</sup> and triplet a<sup>3</sup>Σ<sub>u</sub><sup>+</sup> states” [J. Chem. Phys. 147, 104301 (2017)]

The Journal of chemical physics·2018
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The Rb<sub>2</sub> 3<sup>1</sup>Π <sub></sub> state: Observation and analysis.

The Journal of chemical physics·2018
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Measurement of the Na<sub>2</sub> 5<sup>1</sup>Σ<sub>g</sub><sup>+</sup>→A<sup>1</sup>Σ<sub>u</sub><sup>+</sup> and 6<sup>1</sup>Σ<sub>g</sub><sup>+</sup>→A<sup>1</sup>Σ<sub>u</sub><sup>+</sup> transition dipole moments using optical-optical double resonance and Autler-Townes spectroscopy.

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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Observations and analysis with the spline-based Rydberg-Klein-Rees approach for the 3(1)Σg(+) state of Rb2.

Jinxin Yang1, Yafei Guan2, Wei Zhao1

  • 1State Key Laboratory for Low-Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084, China.

The Journal of Chemical Physics
|January 17, 2016
PubMed
Summary

Researchers studied rubidium dimer (Rb2) molecules using optical-optical double resonance. Perturbed ro-vibrational data required a novel potential modeling approach for accurate analysis.

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Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • Spectroscopy

Background:

  • Accurate potential energy functions are crucial for understanding molecular behavior.
  • Perturbations in molecular spectra complicate traditional analysis methods.
  • Rubidium dimer (Rb2) is a key system for studying interatomic interactions.

Purpose of the Study:

  • To analyze the perturbed ro-vibrational term values of the 3(1)Σg(+) state in (85,85)Rb2 and (85,87)Rb2.
  • To develop and apply a robust method for analyzing heavily perturbed molecular energy levels.
  • To determine the adiabatic potential function of the 3(1)Σg(+) state.

Main Methods:

  • Optical-optical double resonance excitation was used to record ro-vibrational term values.
  • Resolved fluorescence spectra to the A(1)Σu(+) state were obtained.
  • A Rydberg-Klein-Rees potential model, utilizing generalized smoothing spline interpolation of vibrational energies (Gv) and rotational constants (Bv), was employed to analyze the perturbed data.

Main Results:

  • Experimental ro-vibrational term values for the 3(1)Σg(+) state of Rb2 isotopologues were recorded.
  • The standard Dunham series analysis failed due to significant perturbations in the energy levels.
  • A successful analysis was achieved by modeling the adiabatic potential function using the Rydberg-Klein-Rees method with spline interpolation.

Conclusions:

  • The study demonstrates the effectiveness of the Rydberg-Klein-Rees potential modeling with spline interpolation for analyzing perturbed molecular spectra.
  • This approach provides accurate insights into the potential energy surfaces of diatomic molecules like Rb2.
  • The findings contribute to a deeper understanding of interatomic forces and molecular structure in alkali metal dimers.