A Investigation of the NU3, NU1, and 2NU4 Vibration  Bands of Heavy Ammonia
Abstract
In examining the bands of the fundamental vibrations of this molecule it is immediately obvious that several complications obscure the analysis of the spectrum. First the normal coordinate problem for the ammonia molecule is considered. The symmetry considerations relevant to the molecule are then presented, and a classification of the vibrationrotation wave functions of ammonia is carried out under the full molecular point group. The energies of the molecule are discussed along with the nature of the molecular Hamiltonian. The assignment and analysis of the experimental spectrum is presented along with linear regression calculations for the four major bands that are considered. It is readily apparent that linear regression calculations are completely insufficient in the reproduction of the spectrum to the estimated experimental accuracy. Finally, a nonlinear regression calculation is discussed along with a consideration of the nature of the matrix elements of the Hamiltonian to be included in such a calculation.
 Publication:

Ph.D. Thesis
 Pub Date:
 1975
 Bibcode:
 1975PhDT........37K
 Keywords:

 TRIDEUTERATED AMMONIA;
 Physics: Molecular;
 Ammonia;
 Molecular Spectra;
 Vibrational Spectra;
 Regression Analysis;
 Spectral Bands;
 Spectrum Analysis;
 Wave Functions;
 SolidState Physics