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Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters

Acceso Cerrado
ID Minciencias: ART-0000423378-77
Ranking: ART-ART_A2

Abstract:

Using first principle calculations, in-depth bonding and aromaticity pattern of bare anionic nortricyclane, E73− (E = P, As, Sb, and Bi) Zintl clusters have been explored. A detailed topological analysis reveals that every cluster comprises of nine 2c-2e σ-bond with an occupation number of 1.96–1.99 |e|. We find an impressive covalence in the E73− cluster which decreases down the group from P73− to Bi73−. The nucleus independent chemical shift (NICS) foretell about the aromatic property of the Zintl cluster which is also decreasing along the group. In addition, the response with respect to external magnetic field of the nucleus independent shielding tensor was obtained to explore the possible formation of the shielding cone behavior.

Tópico:

Synthesis and Properties of Aromatic Compounds

Citaciones:

Citations: 10
10

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Información de la Fuente:

SCImago Journal & Country Rank
FuenteChemical Physics Letters
Cuartil año de publicaciónNo disponible
Volumen749
IssueNo disponible
Páginas137414 - 137414
pISSNNo disponible
ISSN0009-2614

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Artículo de revista