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Experimental study of the rydberg orbitals of large molecules
Author(s) -
Robin M. B.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560060627
Subject(s) - rydberg formula , excited state , chemistry , ionization , atomic physics , molecular orbital , atomic orbital , molecule , ionization energy , photoionization , molecular physics , physics , electron , ion , quantum mechanics , organic chemistry
Using photoelectron and optical spectroscopy, the ionization potentials of a large number of organic molecules in their Rydberg excited states were determined. In the limit of large alkyl substituents surrounding a central chromophoric group, it was found that the ionization potential of 3 s , 3 p , and 3 d MO's are independent of the central group in direct contrast to the situation in the ground state. This is interpreted as showing that in the excited states of the limiting molecules, the Rydberg orbitals are completely n = 3 orbitals on the alkyl groups rather than on the central atoms as in the corresponding hydrides.