measure of the probability that a particular vibrational transition will
molecules for which the same vibrational transitions are observed using
In general the response seems unpredictable; it does not appear to follow the generally accepted
vibrational transition relative intensity expectations.
Spectroscopic analysis of OH(([A.sup.2] [[SIGMA].sup.+])-[X.sup.2][[PI].sub.I])
vibrational transitions supports this hypothesis [22].
Once the molecules were optimised at the PM3 semi-empirical model and no imaginary frequencies were found, the thermodynamics - entropy, enthalpy, heat of formation, electric charge distribution and
vibrational transitions, the Gibb's free energy and the equilibrium constants were evaluated [16].
Distance to [C.sub.2] rotational [C.sub.2] vibrational probe surface temperatures/K temperatures/K 3 mm 4500-7000 5500 5 mm 5000 6000 TABLE 6: Electronic and
vibrational transitions and corresponding band head wavelengths of the predominant molecular species.
These absorption features allow unambiguous identification fingerprinting results from rotational
vibrational transitions of atoms within the molecules.