Determination of the threefold internal rotation barrier in ArNH 3

A. Grushow, W. A. Burns, S. W. Reeve, M. A. Dvorak, K. R. Leopold

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The two Σ and four Π states of the weakly bound, complex Ar-NH3 correlating to j = 2, k = ± 1 ammonia have been observed by tunable far infrared difference frequency-microwave sideband spectroscopy. The results have been combined with published data to determine a new angular potential energy surface for the system. The barrier to threefold internal rotation of the NH3 about its C3 axis in the complex is estimated to be 25.606(24) cm-1 near the minimum energy (T-shaped) configuration. The potential also exhibits maxima at both symmetric top configurations, with energies approximately 53 and 31 cm-1, respectively above that of the global minimum. The location and splitting between the symmetric and antisymmetric Σ states are indicative of a strong interaction with another pair of unobserved states, most likely the first excited intermolecular stretch built on j = 1, k = ± 1 Ar-NH 3.

Original languageEnglish (US)
Pages (from-to)2413-2421
Number of pages9
JournalThe Journal of chemical physics
Issue number4
StatePublished - 1994

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