Reassignment of Millimeterwave Spectrum of the HCN Internal Rotation Bands of H_2-HCN

Details Reassignment of Millimeterwave Spectrum of the HCN Internal Rotation Bands of H_2-HCN Reassignment of Millimeterwave Spectrum of the HCN Internal Rotation Bands of H_2-HCN

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confewh01h&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Physics

Microwave

Scientific paper

The H_2-HCN complex is a weakly bound molecular complex and we have reported the pure rotational transitions of H_2-HCN in the MMW region. footnote{M. Ishiguro, T. Tanaka, K. Harada, C. J. Whitham and K. Tanaka, J. Chem. Phys. 115, 5155 (2001).} According to the results, ortho- and para-H_2 complexes have different structures in the ground state, H_2 is attached to the nitrogen and hydrogen end of HCN, respectively, for ortho- and para-H_2 complexes and the Σ symmetry has been confirmed for both species. We also reported the MMW spectroscopy of j=1-0 internal rotation band of H_2-HCN in 2006 footnote{M. Hagi,
K. Harada, and K. Tanaka, The 61st International Symposium on Molecular Spectroscopy, TE01, (2006).}, where j is the quantum number for the HCN internal rotation. Although we assigned most of intense lines to the Σ_1-Σ_0 and Π_1-Σ_0 bands of (ortho)H_2-HCN, some intense lines are unidentified. To confirm their assignments, we performed the MMW-MMW double resonance spectroscopy in the present study and came to the conclusion that our previous assignments of Σ_1-Σ_0 and Π_1-Σ_0 bands should be changed, and then all of the intense lines are finally assigned to the Π_1-Σ_0 (R_0, R_1,R_2, Q_1, Q_2, and P_2) and Σ_1-Σ_0 (R_0, and P_2) bands. The band origins of the Σ_1-Σ_0 and Π_1-Σ_0 bands of (ortho)H_2-HCN newly determined are 187 and 165 GHz, respectively. They are larger than those of Ne-HCN (133 and 107 GHz) but comparable with those of Ar-HCN (165 and 182 GHz, their order is reversed) indicating that the potential anisotropy of (ortho)H_2-HCN is larger than that of Ne-HCN but comparable with that of Ar-HCN. The mean square amplitudes of HCN for excited states ( 57^circ and 51^circ for Σ_1 and Π_1), given by the analysis of hyperfine structure of the nitrogen nucleus, are much larger than that (33^circ) of the ground Σ_0 state. A plenty of weak lines in the 100-300 GHz region are still unassigned, possibly due to the higher internal rotation bands of ortho-H_2 complex, such as the Δ_1-Π_0 band, as well as the fundamental bands (Σ_1-Σ_0 and Π_1-Σ_0) of para-H_2 complex. Analysis of these weak bands and survey in the region with pure para-H_2 sample are now in progress.
M. Ishiguro, T. Tanaka, K. Harada, C. J. Whitham and K. Tanaka, J. Chem. Phys. 115, 5155 (2001).

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