✦ LIBER ✦

The charge distribution in chromium(III) and iron(III) hexafluoride

✍ Scribed by L.E. Harris; E.A. Boudreaux

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 196 KB
Volume: 23
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)85118-8

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✦ Synopsis

Semi-empirical motecular orbital calculations were performed

for CrFz-and FeFi-. The method of calculation is derived from the IIF SCF equations using approximations appropriate to the highly ionic transition metal hatides. The results ot' these calculations are s@wn to be in better agreement than previous semismpirical calculations with X-ray emission line shlfls and atom charges and populalions estimated from these shifts.

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