Publication Date:
2016-04-22
Description:
We report the observation of a manganese-centered tubular boron cluster (MnB 16 − ), which is characterized by photoelectron spectroscopy and ab initio calculations. The relatively simple pattern of the photoelectron spectrum indicates the cluster to be highly symmetric. Ab initio calculations show that MnB 16 − has a Mn-centered tubular structure with C 4v symmetry due to first-order Jahn-Teller effect, while neutral MnB 16 reduces to C 2v symmetry due to second-order Jahn-Teller effect. In MnB 16 − , two unpaired electrons are observed, one on the Mn 3d z 2 orbital and another on the B 16 tube, making it an unusual biradical. Strong covalent bonding is found between the Mn 3d orbitals and the B 16 tube, which helps to stabilize the tubular structure. The current result suggests that there may exist a whole class of metal-stabilized tubular boron clusters. These metal-doped boron clusters provide a new bonding modality for transition metals, as well as a new avenue to design boron-based nanomaterials.
Print ISSN:
0021-9606
Electronic ISSN:
1089-7690
Topics:
Chemistry and Pharmacology
,
Physics
Permalink
