| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7751512 | Inorganica Chimica Acta | 2013 | 8 Pages |
Abstract
The complicated potential energy surface of Cp2Pd2(BO)2 has 11 structures within 14 kcal/mol (BP86) of the global minimum including both perpendicular and coaxial structures with diverse BO bonding modes. The Cp2Pd2(BF)2 potential surface is considerably simpler with a coaxial Cp2Pd2(μ-BF)2 structure lying more than 18 kcal/mol below any of the other Cp2Pd2(BF)2 structures.
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Hongxia Zhao, Aiping Peng, Xiuhui Zhang, Qian-shu Li, R. Bruce King,