Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10578363 | Polyhedron | 2012 | 8 Pages |
Abstract
⺠The dicobaltadicarbaboranes Cp2Co2C2Bnâ4Hnâ2 (n = 9, 10, 11, and 12) have been studied by density functional theory. ⺠The lowest energy structures for Cp2Co2C2Bnâ4Hnâ2 (n = 9, 10, and 11) are the most spherical borane deltahedra. ⺠The low energy Cp2Co2C2Bnâ4Hnâ2 (n = 9, 10, and 11) structures have the carbon atoms at degree 4 vertices. ⺠The low energy Cp2Co2C2Bnâ4Hnâ2 (n = 9, 10, and 11) structures have the cobalt atoms at degree 5 or 6 vertices. ⺠For the icosahedral Cp2Co2C2B8H10 the lowest energy structures have no Co-Co or C-C edges.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Alexandru Lupan, R. Bruce King,