Forbidden Transitions in the Very Rich Pure Rotational Spectrum of TRANS-1-IODOPERFLUOROPROPANE

Details Forbidden Transitions in the Very Rich Pure Rotational Spectrum of TRANS-1-IODOPERFLUOROPROPANE Forbidden Transitions in the Very Rich Pure Rotational Spectrum of TRANS-1-IODOPERFLUOROPROPANE

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confemh05d&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Computer Science

Microwave

Scientific paper

Using both chirped pulse-, and low frequency cavity-based Fourier transform spectroscopy over 700 transitions have been recorded for the title molecule for the first time. The C_1, C_2 and C_3 carbon-13 species have been observed in natural abundance allowing a substitution structure for the CCC backbone to be determined. Nearly all the transitions observed were either a-type R branches or b-type Q branches. No c-type transitions were observed. The χ_{aa}, χ_{bb}, χ_{cc} and χ_{ab} components of the iodine nuclear quadrupole coupling tensor have been determined. Of note, several forbidden transitions were also observed, such as J_{k_{-1},k_{+1}} F = 14_{4,10} 23/2 ← 12_{5,7} 21/2. In this particular case it seems that the upper energy level is nearly degenerate with a level connected to the lower energy level by a μ_a dipole component term, but the lower energy level is also nearly degenerate with a second level connected to the upper energy level, again by a μ_a dipole component term. The two intermediate energy levels are themselves connected by a μ_b dipole component term. Near degeneracies such as these, together with a large χ_{ab} value (≈ 1 GHz) mean that certain Δ J = 2 transitions become allowed. This phenomena has been previously observed for 1-iodopropane by Fujitake and Hayashi (J. Mol. Spect, 127, (1988), 112-124).

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