Characterization of the [18.28]0-- a 3Δ1 (0,0) band of tantalum nitride, TaN

Timothy Steimle, Damian L. Kokkin, Colan Linton, Lan Cheng

Research output: Contribution to journalArticle

Abstract

The [18.28]0--a3Δ1 (0,0) band near 647 nm of tantalum nitride, TaN, has been recorded and analyzed field-free and in the presence of static electric and magnetic fields. The fine and hyperfine parameters for the a3Δ1 and [18.28]0- states are determined. The 181Ta(I = 7/2) axial nuclear electric quadrupole coupling constant, eQq0, and the effective magnetic hyperfine coupling constant, h1, are used to garner insight into the nature of electronic states. The Stark tuning of the P(2) and Q(1) lines was analyzed to determine the molecular frame permanent electric dipole moment, μ→el, for the a3Δ1 state of 4.49 ± 0.09 D. The Zeeman effect on the P(1) line was analyzed to determine an upper limit of the magnetic moment, μ→m, for the a3Δ1 state. Scalar-relativistic coupled-cluster calculations for eQq0 and μ→el of the a3Δ1 state are also reported and compared with experimental results. The determined properties are compared with the predicted values and the implication of the proposed scheme for determination of the 181Ta magnetic quadrupole moment is discussed.

Original languageEnglish (US)
Article number154304
JournalJournal of Chemical Physics
Volume147
Issue number15
DOIs
StatePublished - Oct 21 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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