4.7 Article

Reassigning the CaH+ 11Σ → 21Σ vibronic transition with CaD+

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 21, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.5016556

Keywords

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Funding

  1. Army Research Office [W911NF-12-1-0230]
  2. Multi-University Research Initiative Award [W911NF-14-1-0378]
  3. National Science Foundation Award [PHY-1404388]
  4. U.S. National Science Foundation [CHE-1566192, ACI-1147843]
  5. Division Of Chemistry
  6. Direct For Mathematical & Physical Scien [1566192] Funding Source: National Science Foundation

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We observe vibronic transitions in CaD+ between the 1(1)Sigma and 2(1)Sigma electronic states by resonance enhanced multiphoton photodissociation spectroscopy in a Coulomb crystal. The vibronic transitions are compared with previous measurements on CaH+. The result is a revised assignment of the CaH+ vibronic levels and a disagreement with multi-state-complete-active-space second-order perturbation theory theoretical calculations by approximately 700 cm(-1). Updated high-level coupled-cluster calculations that include core-valence correlations reduce the disagreement between theory and experiment to 300 cm(-1). Published by AIP Publishing.

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