Molecular orbital stabilization energies for coordination clusters
✍ Scribed by C. I. Lepădatu
- Book ID
- 105115412
- Publisher
- Springer
- Year
- 1971
- Tongue
- English
- Weight
- 190 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1572-8854
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## Abstract Isostructural clusters exhibit contrasting magnetic properties when the number of electrons differs. Surprisingly, the same is true even for isoelectronic cages (e.g. __O~h~__ B~6~H~6~^2−^ is diatropic, whereas __O~h~__ Si~6~^2−^ is paratropic) or for those with different substitutents
Dissociation energies for the Cl and C2 hydrocarbons are calculated within the LCAO SCF framework using a minimal basis set of Slattr-type atomic orbitals. With the exception of the diatomic dissociation energies of C2 and CH calculated values are in good agreement with experiment. H atom -0.4949 C2