✦ LIBER ✦

Photoelectron spectrum and ground state electronic structure of chromyl chloride vapor

✍ Scribed by Ting Ho Lee; J.Wayne Rabalais

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 375 KB
Volume: 34
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)80218-1

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✦ Synopsis

The electronic structure of chromyl chloride Ci02CI2 has been investigated by ultraviolet (He'r) photoelectron spectmscopy. hlulliken-Wolfsberg-Helmholtz molecular orbital calculations have been performed in order to provide a model for interpretation of the photoelectron spectra and to nssist in ;zssignin, n the low-energy opti& &rorprion and emissicn transitions. The fist ionization potential of Cr02C12 at 11.8 eV is due to ionization of the near-degenerate oxygen and chlorine nonbonding 2az, 4b, : and 4b2 MO's. The fEst unoccupied orbital is basically a cfiromium dz* orbital. The excitations (2a2,4bl, SbZ) -+ 7ai correlate well with the three low enein absorption transitions observed.

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