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Filiations between the Electronic Spectra of C 60 and Its Adduct Derivatives: A Rationalization
Author(s) -
Leach Sydney
Publication year - 2004
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1560/lm7a-k8gj-h6lj-xv2e
Subject(s) - chemistry , adduct , icosahedral symmetry , absorption spectroscopy , spectral line , rationalization (economics) , molecular electronic transition , electron , crystallography , molecule , organic chemistry , philosophy , physics , epistemology , quantum mechanics , astronomy
Considerable similarities are observed between the absorption spectra in the 200–800‐nm region of C 60 and its n‐adduct derivatives (n = 1 − 6), in spite of the fact that two π‐electrons are lost for each adduct. The persistence in the adduct derivatives of the main energy and transition strength characteristics of the allowed and forbidden electronic transitions of C 60 is rationalized with a relatively simple model. The filial relation between these spectra is discussed on three levels of increasing physical refinement: (i) the electronic states and transitions resulting from a free‐electron, spherical shell model of C 60 ; (ii) the effects of an icosahedral potential on such a model; and (iii) the effects of π‐electron loss and symmetry lowering due to the addends. The results show that similar, and related, orbital transitions are involved in the absorption spectra in the 200–800‐nm region of C 60 and its adduct derivatives, albeit mildly affected by changes in molecular symmetry and in the size of the π‐conjugation region.