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Volumn 107, Issue 33, 2003, Pages 6429-6440

Electronegativity, resonance, and steric effects and the structure of monosubstituted benzene rings: An ab initio MO study

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; ELECTRONIC STRUCTURE; RESONANCE; SUBSTITUTION REACTIONS;

EID: 0041877480     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030031r     Document Type: Article
Times cited : (89)

References (56)
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    • 0042549055 scopus 로고    scopus 로고
    • 9 gave no evidence for outliers in the β vs α scattergram
    • 9 gave no evidence for outliers in the β vs α scattergram.
  • 42
    • 0042549054 scopus 로고    scopus 로고
    • note
    • Here we retain the original terminology used in refs 4, 5, and 9, whereby a substituent is termed first-row (second-row) when it is bonded to the benzene ring through an atom of the Li-to-F (Na-to-Cl) row of the periodic table.
  • 45
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    • note
    • The effect of negative hyperconjugation is also seen in the length of the two Si-H bonds, which increases by 0.003 A in going from the coplanar to the orthogonal conformation.
  • 46
    • 0042549051 scopus 로고    scopus 로고
    • note
    • The two effects also cooperate in lengthening the C-H bonds of the substituent, as r(C-H) increases by 0.007 A in going from the coplanar to the orthogonal conformation of the benzyl cation.
  • 47
    • 0042048302 scopus 로고    scopus 로고
    • It would be inappropriate to use regression here as we cannot regard one variable as dependent on the other
    • It would be inappropriate to use regression here as we cannot regard one variable as dependent on the other.
  • 48
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    • -1
    • -1.
  • 53
    • 0043049896 scopus 로고    scopus 로고
    • note
    • 5 except for strong π-donor and π-acceptor substituents.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.