Chemical Physics 203 (1996) 81-92

Si core-level excitation of hexamethyldisilane studied by
synchrotron radiation and multiple-scattering Xa calculation

J.Z. Xiong a,*, D.T. Jiang a,1 , Z.F. Liu a,2 , K.M. Baines a , T.K. Sham a,
S.G. Urquhart b, A.T. Wen b, T. Tyliszczak b, A.P. Hitchcock b

aDepartment of Chemistry, University of Western Ontario, London, Ontario, Canada N6A 5B7
bDepartment of Chemistry, McMaster University, Hamilton, Ontario, Canada L8S 4M1

Received 27 June 1995

The Si ls, Si 2s and Si 2p core-level photoabsorption spectra of hexamethyldisilane have been recorded by synchrotron radiation and calculated by the multiple-scattering (MS) Xa method. The results of the calculation are in semiquantitative agreement with the experimental spectra. The relative intensity of corresponding transitions at the (1s, 2s) or (2p) edges differs greatly on account of atomic-like propensity rules (s ® p, p ® s, d). Comparison of the gas phase and solid state Si 2p spectra with the MS-Xa results indicates that many of the features in the Si 2p spectrum of hexamethyldisilane correspond to transitions to states of mixed valence and Rydberg character.

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