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- W35390386 abstract "The energy profiles of the ionic, radical, and molecular mechanisms of the gas-phase addition of nitrosyl fluoride to ethylene were calculated by the MINDO/3 and UMINDO/3 quantum-chemical methods. The molecular mechanism, leading to the formation of 1,2-fluoronitrosoethane in the Z conformation, is preferred in energy respects. Tentative calculations of the hydration energy of the components of the reaction complex showed that all the mechanisms become comparable with each other in energy respects in aqueous solution. It was established that the energy profiles of the addition reactions of the nitrosonium cation to ethylene depend fundamentally on the position of the counterion (F/sup /minus//). The mechanisms of the rearrangements of the intermediate compounds on the reaction path were studied in detail." @default.
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- W35390386 date "1988-05-10" @default.
- W35390386 modified "2023-09-23" @default.
- W35390386 title "Theoretical investigation of the mechanism of the gas-phase fluoronitrosation of ethylene" @default.
- W35390386 hasPublicationYear "1988" @default.
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