Characterization of the [18.28]0−–a3Δ1 (0,0) band of tantalum nitride, TaN

Abstract

The [18.28]0-aΔ (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 aΔ and [18.28]0 states are determined. The Ta(I = 7/2) axial nuclear electric quadrupole coupling constant, eQq, and the effective magnetic hyperfine coupling constant, h, 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→, for the aΔ 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→, for the aΔ state. Scalar-relativistic coupled-cluster calculations for eQq and μ→ of the aΔ 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 Ta magnetic quadrupole moment is discussed.