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The dissociation of NH3 and H2O in excited states

✍ Scribed by J.A. Horsely; F. Flouquet

Publisher: Elsevier Science
Year: 1970
Tongue: English
Weight: 273 KB
Volume: 5
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(70)80032-x

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✦ Synopsis

For some lower-lying excited states of NH3 and H20, ab initio SCF calculations indicate the presence of potential maxima in the paths leading to dissociation into NH2 +H and OH +H. The occurrence of these maxima is probably connected with changes in the highest occupied molecular orbital during dissociation. The first observed electronic transition in the absorption spectrum of ammonia consists of a long progression of bands at about 2 000 %L_ Both vibrational [l] and rotational [Z], [3] analyses of this system have been carried out (for ND3). This work has established that the molecule is planar in the upper state and that the symmetry species of this state is A:. The upper state has also been identified as the first member of an ns Rydberg series leading to the ground state of NH3 Cl]. The electronic configuration is therefore:

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