| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383843 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠We conducted an unbiased search for global minimum structures of B4H5 and B4H5-. ⺠Optical isomers were found for neutral and anionic B4H5 clusters. ⺠Chemical bonding analysis reveals 2c-2e Ï, 3c-2e Ï and Ï, and 4c-2e Ï and Ï bonds. ⺠Calculated theoretical VDEs for B4H5- can help interpret future PES study of B4H5-.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jared K. Olson, Alexander I. Boldyrev,