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• W1989227284 abstract "Although aromaticity has been observed in inorganic and all-metal species, the concept of antiaromaticity has not been extended beyond organic molecules. Here, we present theoretical and experimental evidence that the 6 -electron tetrapnictogen dianions in Na+Pn42- (Pn = P, As, Sb) undergo a transition from being aromatic to antiaromatic upon electron detachment, yielding the first inorganic antiaromatic Na+Pn4- molecules. Two types of antiaromatic structures were characterized, the conventional rectangular species and a new peculiar quasiplanar rhombus species. Aromaticity and antiaromaticity in the tetrapnictogen molecules were derived from molecular orbital analyses and verified by experimental photodetachment spectra of Na+Pn42-. On the basis of our findings for the tetrapnictogen clusters, we predicted computationally that the organic C4H4- anion also possesses two antiaromatic structures: rectangular and rhombus. Moreover, only the rhombus antiaromatic minimum was found for the radical NC3H4, thus extending the peculiar rhombus antiaromatic structure first uncovered in inorganic clusters into organic chemistry." @default.
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• W1989227284 date "2002-10-22" @default.
• W1989227284 modified "2023-09-30" @default.
• W1989227284 title "Peculiar Antiaromatic Inorganic Molecules of Tetrapnictogen in Na⁺Pn₄^- (Pn = P, As, Sb) and Important Consequences for Hydrocarbons" @default.
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• W1989227284 doi "https://doi.org/10.1021/ic020426+" @default.
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