Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom
Pratim Kumar Chattaraj, Santanab Giri
TL;DR
This paper investigates the stability, reactivity, and aromaticity of Al7C- and Al7O- clusters using principles like maximum hardness, minimum electrophilicity, and NICS values to understand their chemical behavior.
Contribution
It provides a detailed analysis of the stability and aromaticity of specific multivalent superatom clusters using computational principles.
Findings
Al7C- and Al7O- show stability consistent with maximum hardness.
The clusters exhibit aromatic behavior based on NICS analysis.
Reactivity trends align with electrophilicity principles.
Abstract
In this communication we analyze the stability, reactivity and possible aromatic behavior of two recently reported clusters (Reveles J. U.; Khanna S. N.; Roach P. J.; Castleman A. W. jr. Proc. Natl. Acad. Sci, 2006, 103, 18405), viz., Al7C- and Al7O- in the light of the principles of the maximum hardness and minimum electrophilicity as well as the nucleus independent chemical shift values.
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