High Resolution Infrared and Microwave Spectra of NH3-HCCH and NH3-OCS Complexes: Studies of Weak C-H\cdotsN Hydrogen Bond and Electric Multipole Interactions

Details High Resolution Infrared and Microwave Spectra of NH3-HCCH and NH3-OCS Complexes: Studies of Weak C-H\cdotsN Hydrogen Bond and Electric Multipole Interactions High Resolution Infrared and Microwave Spectra of NH3-HCCH and NH3-OCS Complexes: Studies of Weak C-H\cdotsN Hydrogen Bond and Electric Multipole Interactions

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confeti05l&link_type=abstract

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

Physics

Infrared/Raman

Scientific paper

C-H\cdotsN weak hydrogen bond is of much current interest. We report the first high resolution infrared spectroscopic study of a prototypical C-H\cdotsN bonded system, i.e. NH3-HCCH, at the vicinity of the ν4 band of NH3. The spectrum has been recorded using an infrared spectrometer equipped with an astigmatic multipass cell aligned for 366 passes and a room temperature external cavity quantum cascade laser at the 6 μm region. The perpendicular band spectrum of symmetric top rotor observed is consistent with the previous microwave and infrared studies at 3 μm. We also extended the previous microwave measurement to higher J and K. For the related NH3-OCS complex, microwave spectrum of J up to 6 and infrared spectrum at the vicinity of the ν4 band of NH3 have been recorded and analyzed for the first time. Comparison has been made with the previously studied isoelectronic complexes such as NH3-N2O and NH3-CO2. The source of the difference will be discussed with the aid of ab initio calculations.
G.T. Fraser, K.R. Leopold, and W. Klemperer, J. Chem. Phys. 80(4), 1423, (1984)
G. Hilpert, G.T. Fraser, and A.S. Pine, J. Chem. Phys. 105(15), 6183, (1996)
G.T. Fraser, D.D. Nelson, JR., G.J. Gerfen, and W. Klemperer, J. Chem. Phys. 83(11), 5442, (1985)
G.T. Fraser, K.R. Leopold, and W. Klemperer, J. Chem. Phys. 81(6), 2577, (1984)

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