Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.13/33626
- Rotational and ro-vibrational transitions of He₂C²⁺
von Nagy-Felsobuki, Ellak I.
- The University of Newcastle. Faculty of Engineering & Built Environment, School of Engineering
- Ab initio calculations of transition frequencies and line strengths have been calculated for the "forbidden" rotational spectrum and ν₂ fundamental ro-vibrational of the ¹A₁ state of He₂C²⁺. For the "pure" rotational spectrum, the vibration ground state transitions are very weak, with the intensity of the strongest line, 3₃₁–4₄₀, being only 2.15 × 10⁻²² cm molecule⁻¹. A group of significant line strengths is attributed to ro-vibrational transitions between (<0,2,0>←<0,1,0>) and (<0,1,0>←<0,0,0>) bands. These band centers are calculated at 309.5 and 330.4 cm⁻¹ respectively. The strongest band is identified with the (<0,2,0>←<0,0,0>) transition with a band center of 625.1 cm⁻¹ and line strength of 2.58 × 10⁻¹⁹ cm molecule⁻¹ for the (4₄₀←4₄₁) transition.
- Physical Chemistry Chemical Physics Vol. 6, Issue 19, p. 4542-4545
- Publisher Link
- Royal Society of Chemistry
Ab initio calculations;
- Resource Type
- journal article