A valence bond study of the sigma and pi aromatic species Al-4(2-)
UNSPECIFIED. (2004) A valence bond study of the sigma and pi aromatic species Al-4(2-). CHEMICAL PHYSICS LETTERS, 385 (3-4). pp. 198-201. ISSN 0009-2614Full text not available from this repository.
Official URL: http://dx.doi.org/10.1016/j.cplett.2003.12.086
Ab initio valence bond calculations were performed to assess the sigma and pi aromatic character of the all-metallic species Al-4(2-). The results show that the sigma system is composed from two independent systems (built from the radial and tangential p-orbitals), each containing two delocalised electrons, providing the conduction. The resonance energy of the sigma system is significantly higher than that of the pi system (123 vs. 40 kcal/mol), and the pi resonance energy is substantially lower than that of the pi isoelectronic; hydrocarbon C4H42+ (167 kcal/mol). (C) 2004 Elsevier B.V. All rights reserved.
|Item Type:||Journal Article|
|Subjects:||Q Science > QD Chemistry
Q Science > QC Physics
|Journal or Publication Title:||CHEMICAL PHYSICS LETTERS|
|Publisher:||ELSEVIER SCIENCE BV|
|Date:||9 February 2004|
|Number of Pages:||4|
|Page Range:||pp. 198-201|
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