HIGH-RESOLUTION SPECTROSCOPIC STUDIES OF THE $\nu_{5}$ BENDING FUNDAMENTAL OF HCCN

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2000

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Ohio State University

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A high-resolution spectroscopic study of the ν5 bending fundamental of HCCN has been carried out using far-infrared laser magnetic resonance (FIR LMR) spectroscopic techniques. This study has provided an accurate determination of the ν5 separation 3,864,563.78(11) MHz (128.9079721(37)cm−1), a more accurate determination of the spin-spin parameters, an improved set of molecular g-factors, and the first observation of hyperline splittings in the ν5=1 levels. The analysis of the HCNN radical was done using an `A' reduced asymmetric rotor Hamiltonian and included the FIR LMR data (this work), microwave dataa, and millimeter-wave datab. A fit was performed including ΔK=2 matrix elements and no improvement was observed compared with the fit using ΔK=0. Thus, in this analysis there is no support for a slightly bent structure. We can now accurately predict zero field transitions which will be valuable for conducting searches for the ν5 fundamental transition in stellar and interstellar sources.

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aY. Endo and Y. Ohshima, J. Chem. Phys. 98. 6618(1993). bM. C. McCarthy, C. A. Gottlieb, A. L. Cooksy, and P. Thaddeus, J. Chem, Phys, 103, 7779(1995).


Author Institution: Time and Frequency Division, National Institute of Standards and Technology; The Physical Chemistry Laboratory, Oxford University

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