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N-isopropenylazoles: III. Quantum-chemical analysis of the reaction of azoles with allene and propyne in the gas phase

✍ Scribed by V. A. Shagun; O. A. Tarasova; B. A. Trofimov


Book ID
111464037
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
351 KB
Volume
42
Category
Article
ISSN
1070-4280

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## Calculations on the thermochemistry of reactions between NH,' ions and EtHgX molecules (X = C1, Br, I) were performed by the MNDO method. The calculations showed the p i b l e existence of two stable isomers of composition [ EtHgX, NH, 1 + namely [ EtHgX -.HNH, 1 + and [ EtHg(NH,)XH I +. Proton