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Structure and reactivity of the CH2CN radical

✍ Scribed by F. Delbecq


Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
584 KB
Volume
99
Category
Article
ISSN
0009-2614

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Radical-type reactivity of the methylene
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A 6 initio molecular orbital calculations at the MP2/6-31G\*//6-31G\* + ZPVE level of theory suggest that the ion (CH,),S+--CH,' is 75 k J mol-' higher in energy than ionized ethyl methyl sulfide. However, this distonic ion is stable toward isomerization to the conventional structure: the two ions