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Boron-made N2: Realization of a B≡B Triple Bond in the B2Al3- Cluster.
| Content Provider | Semantic Scholar |
|---|---|
| Author | Fedik, Nikita S. Mu, Chaonan Popov, Ivan A. Wang, Wei Wang, Junquan Wang, Haopeng Bowen, Kit H. Boldyrev, Alexander Zhang, Xinxing |
| Copyright Year | 2020 |
| Abstract | Until now, all B≡B triple bonds have been achieved by adopting two ligands in the L→B≡B←L manner. Here, we report an alternative route of designing the B≡B bonds based on the assumption that by acquiring two extra electrons, an element with the atomic number Z can have properties similar to those of the element with the atomic number Z+2. Specifically, we show that due to the electron donation from Al to B, the negatively charged B≡B kernel in the B2Al3- cluster mimics a triple N≡N bond. Comprehensive computational searches reveal that the global minimum structure of B2Al3- exhibits a direct B-B distance of 1.553 Å, and its calculated electron vertical detachment energies are in excellent agreement with the corresponding values of the experimental photoelectron spectrum. Chemical bonding analysis revealed one σ and two π bonds between the two B atoms, thus confirming a classical textbook B≡B triple bond, similar to that of N2. |
| File Format | PDF HTM / HTML |
| DOI | 10.1002/chem.202001159 |
| PubMed reference number | 32253796 |
| Journal | Medline |
| Alternate Webpage(s) | https://pages.jh.edu/~chem/bowen/Publication%20PDF/297.pdf |
| Alternate Webpage(s) | https://doi.org/10.1002/chem.202001159 |
| Journal | Chemistry |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
