J. Electron Spectroscopy and Related Phenomena 67 (1994) 1-123

Bibliography and Database of Inner-shell Excitation Spectra of Gas Phase Atoms and Molecules

A.P. Hitchcock and D.C. Mancini

1. Dept. of Chemistry, McMaster University, Hamilton, ON L8S 4MI, Canada

2 Dept. of Physics, Uppsala University, Uppsala, Sweden

An annotated bibliography of articles dealing with theoretical or experimental studies of inner shell (core) excitation of atoms or molecules is provided. A computer database consisting of 374 spectra of 191 molecules has been assembled. All of these spectra were recorded by electron energy loss spectroscopy in the electric dipole regime. The database spectra are presented as both raw data and after conversion of the isolated core excitation signal to an absolute oscillator strength (f-value) scale. An improved scheme for deriving absolute oscillator strengths is described and tested. Instructions are provided for accessing the database with the file transfer protocol (FTP) network facility. Such spectra may be useful for fingerprint comparisons, comparisons to calculations etc. In the future the database will be extended to include data from other sources, including gas phase optical spectra, as well as critical commentary on data base entries.

ã 1994 Elsevier Science B.V.