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On the core electron binding energy of carbon and the effective charge of the carbon atom

1988; Elsevier BV; Volume: 46; Issue: 1 Linguagem: Inglês

10.1016/0368-2048(88)80002-1

1873-2526

Peter Sundberg, Ragnar Larsson, Börje Folkesson,

Photochemistry and Electron Transfer Studies

From Mulliken population data based on ab initio calculations of a series of substituted aromatic compounds and from well-calibrated XPS data (core electron binding energies, Eb) an empirical relation between Eb(C1s) and the charge on the carbon atoms, qc, has been found: Eb(C1s = 6.42qc + 4.52q2c + 285.8 (eV). It is also found that XPS data for other carbon-containing species, notably the cyanide ion, can be described by this relation.