High resolution (0.004 cm−1 instrumental bandwidth) interferometric Fourier transform infrared spectra of were obtained on a BOMEM DA002 spectrometer under essentially Doppler limited conditions. We report the analysis of the ND and NH stretching fundamentals of with term values for the symmetric (s) and antisymmetric (a) sublevels with respect to the inversion plane of the planar geometry and for the fundamental, and for the fundamental and and for the fundamental. The two modes which are degenerate in and whose degeneracy is lifted in are distinguished by the subscripts or being symmetric or antisymmetric with respect to the plane of symmetry of the equilibrium geometry of Up to 20 molecular parameters of the effective S-reduced Hamiltonian could be determined accurately for each fundamental. In particular, the inversion-rotation interaction parameter could be determined for the two ND-stretching modes. Assignments were established with certainty by means of ground state combination differences. The results are important for the mode selective inhibition or catalysis of inversion at the nitrogen atom by exciting ND and NH stretching vibrations, for treatments of isotope effects on inversion of ammonia by means of effective Hamiltonians as well as true molecular Hamiltonians on high dimensional potential hypersurfaces.
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15 October 2003
Research Article|
October 15 2003
The NH and ND stretching fundamentals of 14
Marcel Snels;
Marcel Snels
Istituto di Scienze dell’Atmosfera e del Clima (ISAC), Sezione di Roma, Consiglio Nationale delle Ricerche (CNR), Via del Fosso del Cavaliere 100, I-00133 Roma, Italy
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Hans Hollenstein;
Hans Hollenstein
Physical Chemistry, ETH Zurich, CH-8093 Zurich, Switzerland
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Martin Quack
Martin Quack
Physical Chemistry, ETH Zurich, CH-8093 Zurich, Switzerland
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J. Chem. Phys. 119, 7893–7902 (2003)
Article history
Received:
March 10 2003
Accepted:
May 27 2003
Citation
Marcel Snels, Hans Hollenstein, Martin Quack; The NH and ND stretching fundamentals of 14. J. Chem. Phys. 15 October 2003; 119 (15): 7893–7902. https://doi.org/10.1063/1.1592506
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