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Volumn 72, Issue 19, 2007, Pages 7091-7101

Remote substituent effects on allylic and benzylic bond dissociation energies. Effects on stabilization of parent molecules and radicals

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CHEMICAL BONDS; ELECTRONS; STABILIZATION;

EID: 34548757187     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0707129     Document Type: Article
Times cited : (22)

References (108)
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    • -1 region.
    • -1 region.
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    • A different reference reaction must be devised, something that we have been unable to do satisfactorily. However, Nau's approach17d of using Pauling's electronegativity equation would be applicable to species of types YCH=CHCH2X and of YCH=CHCH3. The problem is that full G3 calculations on the needed symmetrical YCH=CHCH2CH2CH=CHY, or the vinylogues YC6H4CH2CH2C 6H4Y, are currently too demanding
    • 4Y, are currently too demanding.
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    • Good linearity with electron-donating groups and scatter with electron-withdrawing groups was also reported in plots of calculated by DFT (B3LYP functional) σ•α vs σ+ for para-substituted benzyl radicals, where σ•α measures the substituent's ability to delocalize the odd electron: Singh, N. K, Popelier, P. L. A, O'Malley, P. J. Chem. Phys. Lett. 2006, 426, 219-221
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.