Formation and sigmatropic rearrangement of PhCOC(NO2)CH2 cycloadducts of 1,3-cyclohexadiene: a theoretical study
β Scribed by Hanying Xu; Peter A. Wade; Karl Sohlberg
- Book ID
- 108283190
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- French
- Weight
- 708 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0040-4020
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π SIMILAR VOLUMES
The structures ofcthylidcne and propylidene in their lowest singlet states :ue considered using INDO lnd MIND 112 calculations. Using a gadicnt optimization method, it is found that R!INDO/Z predicts no encrg minimu.n f-or singlet ethylidenc, while INDO predicts non-&ssic4 bridged structures for the
It is concluded that C3H80+' formed by dissociation of ionized 2ethoxyethanol ( ) is a mixture of CH,CH,OCHl' (7) and 'GH,+OHCH,CH, (2). Formation of 7 and CH3CH2+0HCH3 ( ) is attributed to dissociations of species formed by the hydrogen transfers [ CH,CH20CH2+ 'CH,OHI + [CH,CH,OCHi' CH,Ol -+ [CH,CH