Magic numbers in metallo-inorganic clusters: chromium encapsulated in silicon cages
A systematic theoretical study of the equilibrium geometries and total energies of Cr
encapsulated in Si clusters reveals that Cr Si 12 is more stable than its neighbors. The origin
of this enhanced stability is consistent with the 18-electron sum rule commonly used in the
synthesis of stable chemical complexes, and may provide a criterion for a systematic search
of magic numbers in metalloinorganic clusters. The 6 μ B magnetic moment of the caged Cr
atom, the largest among the 3 d transition metal atoms, is completely quenched. This effect …
encapsulated in Si clusters reveals that Cr Si 12 is more stable than its neighbors. The origin
of this enhanced stability is consistent with the 18-electron sum rule commonly used in the
synthesis of stable chemical complexes, and may provide a criterion for a systematic search
of magic numbers in metalloinorganic clusters. The 6 μ B magnetic moment of the caged Cr
atom, the largest among the 3 d transition metal atoms, is completely quenched. This effect …
Abstract
A systematic theoretical study of the equilibrium geometries and total energies of Cr encapsulated in Si clusters reveals that Cr Si 12 is more stable than its neighbors. The origin of this enhanced stability is consistent with the 18-electron sum rule commonly used in the synthesis of stable chemical complexes, and may provide a criterion for a systematic search of magic numbers in metalloinorganic clusters. The 6 μ B magnetic moment of the caged Cr atom, the largest among the 3 d transition metal atoms, is completely quenched. This effect of caging on the properties of transition metal atoms may lead to the synthesis of novel cluster based materials.
American Physical Society以上显示的是最相近的搜索结果。 查看全部搜索结果