By John Emsley; et al
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Additional resources for Complex Chemistry
As for the previous nickel compound, a semiempirical INDO model was employed for the study. Three electronic configurations were considered - a doublet with spin + 3/2 on the central manganese atom and - 1/2 on each of the terminal atoms, a quartet with spin + 1/2 on each manganese atom, and a sextet with spin + 3/2 on the central atom and + 1/2 on each of the terminal ones. 8 kcal/ mol. Magnetic studies from 2-300 °K have in fact provided support for a sextet ground state. 251e1) each). The relative d orbital splitting patterns and Wiberg bond indices for the terminal manganese centers are reasonably similar to those observed for the "open ferrocenes', regardless of spin state.
Magnetic studies from 2-300 °K have in fact provided support for a sextet ground state. 251e1) each). The relative d orbital splitting patterns and Wiberg bond indices for the terminal manganese centers are reasonably similar to those observed for the "open ferrocenes', regardless of spin state. However, those for the central manganese atom differ substantially, and vary noticeably with spin state. 021. 027 for the sextet state. This value is substantially less than that for the previous nickel compound, and indicates that the manganese-manganese interactions are dominated by electrostatic forces as a result of substantial but opposite charges existing on adjacent manganese centers.
Chim. Acta 24, 132 (1972) 200. Radom, L. : J. Am. Chem. Soc. 95, 6531 (1973) 201. Boerth, D. : ibid. 100, 750 (1978) 202. : ibid. 96, 1370 (1974) 203. Brauman, J. , Blair, L. : ibid. 93, 4315 (1971) 204. DeFrees, D. J. : ibid. 99, 6451 (1977) 205.