Hyperfine interactions in the ground states of titanium monoxide and mononitride

D. A. Fletcher, C. T. Scurlock, K. Y. Jung, Timothy Steimle

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44 Scopus citations


A comparative study of the hyperfine interactions in the X 2Σ+ state of TiN and the X 3Δ state of TiO has been performed. The 48Ti14N(I=1) hyperfine structure was determined from the analysis of 19 components of the N=1-0 and N=2-1 pure rotational transitions recorded using the pump/probe microwave-optical double resonance technique. The 47Ti(I=5/2) hyperfine structure of X 2Σ+ TiN was determined from an analysis of the high resolution optical spectrum of the (0,0) A 2Π3/2-X 2Σ+ band system. The resulting parameters are (in MHz) B(48Ti14N) =18 589.3513(13), D(48Ti14N)=0.026 31(18), γ(48Ti 14N)=-52.2070(13), bF(N) =18.480(3), c(N)=0.166(7), eQq0(N)=-1.514(8), C1(N)=0.0137(12), bF( 47Ti) =-558.8(11), c(47Ti)=-15(5), and eQq 0(47Ti)=62(16). An analysis of the (0,0) band of the B 3Π-X 3Δ system of 47Ti16O produced the X 3Δ hyperfine parameters (in MHz): a( 47Ti) =-54.7(21), (bF+2c/3)(47Ti)=-231.6(60), and eQq0(47Ti)=-49(31). An interpretation based upon the predicted nature of the bonding in TiO and TiN is given.

Original languageEnglish (US)
Pages (from-to)4288-4299
Number of pages12
JournalThe Journal of chemical physics
Issue number6
StatePublished - 1993

ASJC Scopus subject areas

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


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