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Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom

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📝 Original Info

  • Title: Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom
  • ArXiv ID: 0707.0337
  • Date: 2016-09-28
  • Authors: Researchers from original ArXiv paper

📝 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.

💡 Deep Analysis

Deep Dive into Stability, Reactivity, and Aromaticity of Compounds of a Multivalent Superatom.

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.

📄 Full Content

Al 7 C -also forms ionic compounds with alkali metals with hardly any distortion in the original cluster unit. They have adopted 2 a joint experimental-theoretical approach to synthesize these clusters and to study their properties including the gap between the associated frontier orbitals as is the standard practice in the metal cluster studies.

In the present communication we analyze the exceptional stability of these species using the electronic structure principles and the nucleus independent chemical shift calculated at the ring center 3 , NICS(0) which is an indicator of the aromatic/antiaromatic behavior.

Conceptual density functional theory 4 provides definitions of global descriptors like electronegativity 5 ( χ ), hardness 6 (η ) and electrophilicity 7 (ω ) as:

( )

)

-are appropriate for the attack by an anion / a hard nucleophile.

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Reference

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