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Abstract

Aromaticity has attracted continuous attention from both experimentalists and theoreticians for many decades. Although planar Möbius aromaticity was confirmed in metallapentalenes, the aromaticity of metallapentalenes containing heteroatoms (such as B, N, and O) is rarely investigated. The present study reveals an interesting aromaticity dependence on the heteroatoms in these heteroatom-containing metallapentalens by a DFT investigation. More information can be found in the Full Paper by J. Zhu et al. on page 5381.

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Aromaticity has attracted continuous attention from both experimentalists and theoreticians for many decades. Although planar Möbius aromaticity was confirmed in metallapentalenes, the aromaticity of metallapentalenes containing heteroatoms (such as B, N, and O) is rarely investigated. The present study reveals an interesting aromaticity dependence on the heteroatoms in these heteroatom-containing metallapentalens by a DFT investigation. More information can be found in the Full Paper by J. Zhu et al. on page 5381.

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Available abstract

Aromaticity has attracted continuous attention from both experimentalists and theoreticians for many decades. Although planar Möbius aromaticity was confirmed in metallapentalenes, the aromaticity of metallapentalenes containing heteroatoms (such as B, N, and O) is rarely investigated. The present study reveals an interesting aromaticity dependence on the heteroatoms in these heteroatom-containing metallapentalens by a DFT investigation. More information can be found in the Full Paper by J. Zhu et al. on page 5381.

Key concepts: Aromaticity, Heteroatom, Chemistry, Computational chemistry, Crystallography, Ring (chemistry), Molecule, Organic chemistry

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