Equivalent orbital calculations of the ionization energies of zerovalent transition-metal complexes
β Scribed by G. Innorta; G. Distefano; S. Pignataro
- Book ID
- 107771301
- Publisher
- Elsevier Science
- Year
- 1968
- Weight
- 534 KB
- Volume
- 1
- Category
- Article
- ISSN
- 0020-7381
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π SIMILAR VOLUMES
The dlfference between the metal-metal 6 and TT orbItal lonlzation energws for the complexes M~(OZCCF&, M2(02CCH3)4, M2(CaHsf.+\_ and Mz(hlHP)1, (where M = Cr or MO and H{MHP)= 6-methyl-2-hydrouypyrtdme) mcreases, wtthm each series. as the metal-metal bond length decreases. The vanahon m the metal-m
It is shown that the ab znitio STO-3G treatment applied to simple saturated linear, branched and cyclic hydrocarbons, assuming standard geometries, yields orbital energies e p -3 G for their canonical orbitals yl which correlate perfectly with the observed C2, ionization energies If", if Koopmuns' a