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Cited by 177

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Molecular Wheel B82- as a New Inorganic Ligand. Photoelectron Spectroscopy and ab Initio Characterization of LiB8-

Alexandrova, Anastassia N., Zhai, Hua-Jin, Wang, Lai-Sheng, Boldyrev, Alexander I.·2004·Inorganic Chemistry

Abstract

The bare B(8) cluster was previously reported to be a D(7h) molecular wheel with a triplet group state. The B(8)(2-) dianion was predicted to be a closed-shell singlet and double aromatic D(7h) molecular wheel. Here we report the experimental observation of B(8)(2-) stabilized by a Li(+) cation in LiB(8)(-) and its experimental characterization using photoelectron spectroscopy. Theoretical searches lead to a C(7v) LiB(8)(-) global minimum structure, and its calculated photodetachment transitions are in good agreement with the experimental values. Except for a small out-of-plane distortion due to the asymmetric Li(+) capping, the B(8)(2-) unit in LiB(8)(-) is nearly identical to the bare B(8)(2-), suggesting it is a robust and stable structural unit and may be used as a new ligand and building block in chemistry.

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Metadata

Authors
Alexandrova, A. N., Zhai, H.-J., Wang, L.-S., & Boldyrev, A. I.
Venue
Inorganic Chemistry
Published
2004-05-15
Volume
43
Issue
12
Pages
3552-3554
ISSN
  • 0020-1669 (ISSN-L)
  • 1520-510X
OpenAlex
W1997995791
Cited by
177
References
1
FWCI
4.01
Type
journal article
Language
en
Open access
closed

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