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Double vacancies in the core of benzene (1987)

Cederbaum, L. S. ; Tarantelli, F. ; Sgamellotti, A. ; [et al.]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 86 (1987), S. 2168-2175

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: Because of the six equivalent carbon atoms in benzene, there is only one type of single core vacancy, but four different types of double core vacancies. The binding energies of single and double core vacancies are calculated and analyzed. Particular attention is paid thereby to reveal the relation between the single and double hole states. The π and σ electrons are found to contribute differently to the different types of double vacancies. It is generally stressed that double core ionization probes the bonding properties much more sensitively than single core ionization.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.452756

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