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Experimental evidence to Rydbergization of antibonding molecular orbitals

✍ Scribed by M. Chergui; N. Schwentner

Book ID
103036585
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
571 KB
Volume
219
Category
Article
ISSN
0009-2614

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✦ Synopsis

Experimental evidence is presented for the process of molecular orbital Rydbergization postulated by Mulliken, whereby an antibonding orbital continuously changes its character from predominantly Rydberg to predominantly valence on its way to dissociation. By matrix-isolation spectroscopy of the A 'B, state of Hz0 in Ar and Kr matrices and in ice, we show that the absorption threshold behaves like a valence transition while the maximum has a behaviour typical of Rydberg transitions in condensed matter, in agreement with the predicted changing character of the state.

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## Abstract General expressions are obtained for the energies of complex and real forms of any hydrogenic orbital (__n, l, m__) in a cluster of point charges of any geometry. This is a perturbation calculation of hydrogenic Rydberg orbitals in a one‐electron hard core approximation. A model calcula