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- W2047687582 abstract "4-(and 1-) Amino-1,2,4-triazoles have been treated with nitrosonium tetrafluoroborate or with isoamyl nitrite and acetic acid in the presence of mesitylene. The main product is 1,2,4-triazole, together with a small amount of the 1- and trace amounts of the 4-mesityl derivatives. Ab initio calculations of the putative 4-(1,2,4-triazoyl) cation show the electronic ground state to be a closed shell singlet 1A1 (4π e) (3), with a low-lying 3B1 triplet (4) only 1 kcal/mol above it; the σ-cation (1) is not a local minimum on the potential energy surface. Possible explanations of the results are proposed." @default.
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- W2047687582 date "1994-04-01" @default.
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- W2047687582 title "Attempted generation and structure of the 4-(1,2,4-triazoyl) cation" @default.
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- W2047687582 doi "https://doi.org/10.1016/0040-4039(94)85209-x" @default.
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