HIGH RESOLUTION INFRARED AND MICROWAVE SPECTRA OF NH$_{3}$-HCCH AND NH$_{3}$-OCS COMPLEXES: STUDIES OF WEAK C-H$\cdots$N HYDROGEN BOND AND ELECTRIC MULTIPOLE INTERACTIONS

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2011

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Ohio State University

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C-HN weak hydrogen bond is of much current interest. We report the first high resolution infrared spectroscopic study of a prototypical C-HN bonded system, i.e. NH3-HCCH, at the vicinity of the $\nu4bandofNH{3}.Thespectrumhasbeenrecordedusinganinfraredspectrometerequippedwithanastigmaticmultipasscellalignedfor366passesandaroomtemperatureexternalcavityquantumcascadelaseratthe6\mumregion.Theperpendicularbandspectrumofsymmetrictoprotorobservedisconsistentwiththepreviousmicrowaveandinfraredstudiesat3\mu$m. 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 $\nu4bandofNH{3}$ 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 \textit{ab~initio} calculations.

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Author Institution: Department of Chemistry, University of Alberta, Edmonton, Canada, T6G 2G2

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