Nonlocal electronic distribution in metallic clusters: a critical examination of aromatic stabilization

Datta, Ayan ; Mallajosyula, Sairam S. ; Pati, Swapan K. (2007) Nonlocal electronic distribution in metallic clusters: a critical examination of aromatic stabilization Accounts of Chemical Research, 40 (3). pp. 213-221. ISSN 0001-4842

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Official URL: http://pubs.acs.org/doi/abs/10.1021/ar0682738

Related URL: http://dx.doi.org/10.1021/ar0682738

Abstract

All-metal clusters, such as Al4M4 (M = alkali metal ion), exhibit interesting features of multi-fold aromaticity/antiaromaticity. Such characteristics arise particularly because of the poor σ-π separation in this class of systems. This Account presents computational strategies to unambiguously determine the aromaticity/antiaromaticity characteristics of such clusters. Computations of the linear and nonlinear optical responses show that all-metal clusters are orders of magnitude more polarized than the conventional π-conjugated molecules. We also propose new strategies to stabilize all-metal antiaromatic systems through complexation to transition metals and discuss mechanisms for substitution reactions within the conventional organometallic systems by Al4M4. Additionally, we find that these all-metal clusters form stacked superclusters that are extremely stable and aromatic.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:60826
Deposited On:12 Sep 2011 07:17
Last Modified:12 Sep 2011 07:17

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