Analysis of a new MoO transition in the near-IR: A combined theoretical and experimental study

Jack C. Harms, Kaitlin A. Womack, Leah C. O’Brien, Wenli Zou

Research output: Contribution to journalArticlepeer-review

Abstract

The near-infrared electronic spectrum of MoO has been recorded in emission using the Fourier transform spectrometer associated with the National Solar Observatory at Kitt Peak, AZ. The gas phase MoO molecules were produced in a neon-based electric discharge using a molybdenum hollow cathode and a trace amount of oxygen. One MoO molecular band was observed in the spectrum with a red-degraded bandhead at 6735 cm -1  and is assigned as the (0,0) band of the c  3 Π 1  - a  3 Σ -0+  transition. The assignment is based upon isotopologue shifts and ab initio calculations. Results from the ab initio calculations and analysis are presented. The new calculations support the assignment of the observed transition and have led to reassignment of several electronic states from previous work.
Original languageAmerican English
JournalJournal of Chemical Physics
Volume141
DOIs
StatePublished - Oct 7 2014
Externally publishedYes

Disciplines

  • Atomic, Molecular and Optical Physics
  • Analytical Chemistry

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