It has been demonstrated that the modified Sanderson formalism (MS) for calculation of atomic charge yields good correlation with C 1s core level shifts in organic molecules with carbon in the sp3 hybridized state (Sastry, J. Electron. Spectrosc., 85 (1997) 167) as well as in monocyclic aromatic molecules (Patil et al., J. Electron Spectrosc., 85 (1997) 249). In this communication, a reinterpretation of the MS method is presented which leads to an extension of the scheme enabling application to polycyclic molecules for the first time. A linear relationship is established between partial charges on carbon and C 1s core level shifts in some polycyclic organic molecules.
|Number of pages||6|
|Journal||Journal of Electron Spectroscopy and Related Phenomena|
|Publication status||Published - 30 Jun 1998|
- Atomic charges
- C 1s core level shifts
- Polycyclic organic molecules
- Sanderson method