Article ID Journal Published Year Pages File Type
5389954 Chemical Physics Letters 2006 9 Pages PDF
Abstract
The double HOMO and single HOMO−4 are π-bonding orbitals, occupied by four electrons, rendering π-aromaticity. The double HOMO−1 and single HOMO−3 are σ orbitals, occupied by six electrons, rendering σ-aromaticity. Thus, triplet (C6v, 3A1) LiB7 species posses doubly (σ- and π-) aromaticity.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
B7- as a novel ligand: Theoretical investigations on structures and chemical bonding of LiB7 and BeB7+
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