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Volumn 44, Issue 2, 2004, Pages 652-657

Hammett equation and generalized Pauling's electronegativity equation

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; ELECTRON RESONANCE; ENERGY TRANSFER; HYDROLYSIS; MOLECULAR STRUCTURE; NUMERICAL METHODS; REACTION KINETICS; SUBSTITUTION REACTIONS;

EID: 1842639181     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0342122     Document Type: Article
Times cited : (82)

References (62)
  • 18
    • 84983037018 scopus 로고
    • It is worthy to note that Pross and Radom first proposed the concept of substituent interaction energy. See: Pross, A.; Radom, L. Prog. Phys. Org. Chem. 1981, 13, 1.
    • (1981) Prog. Phys. Org. Chem. , vol.13 , pp. 1
    • Pross, A.1    Radom, L.2
  • 19
    • 0000991234 scopus 로고
    • Although substituent interaction energies have been utilized in a few studies, for example: (a) Pross, A.; Radom, L.; Taft, R. W. J. Org. Chem. 1980, 45, 818.
    • (1980) J. Org. Chem. , vol.45 , pp. 818
    • Pross, A.1    Radom, L.2    Taft, R.W.3
  • 22
    • 0142119418 scopus 로고    scopus 로고
    • no one has attempted to derive a two-variable free-energy relationship for substituent interaction energies
    • (d) Exner, O.; Bohm, S. S. Chem. Eur. J. 2003, 9, 4718. no one has attempted to derive a two-variable free-energy relationship for substituent interaction energies.
    • (2003) S. Chem. Eur. J. , vol.9 , pp. 4718
    • Exner, O.1    Bohm, S.2
  • 36
    • 85039523655 scopus 로고    scopus 로고
    • note
    • It is worth mentioning that the original Hammett equation is ΔG = ρδ. However, since we are focusing on the gas-phase energetics and the entropy change of an isodesmic reaction is negligible, we could use a modified Hammett equation, i.e., ΔE = ρδ in the present study.
  • 40
    • 33845376993 scopus 로고
    • Pauling originally considered atom electronegativity only. Extension of this concept to a group of atoms gave rise to the term "group electronegativity". For more, please read: (a) Mullay, J. J. Am. Chem. Soc. 1985, 107, 7271.
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 7271
    • Mullay, J.1
  • 48
    • 0033717885 scopus 로고    scopus 로고
    • It is worthy to note that other definitions of electronegativity have also been proposed. For recent examples, see: (a) Murphy, L. R.; Meek, T. L.; Allred, A. L.; Allen, L. C. J. Phys. Chem. A 2000, 104, 5867.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 5867
    • Murphy, L.R.1    Meek, T.L.2    Allred, A.L.3    Allen, L.C.4
  • 56
    • 1842777841 scopus 로고
    • Many people have attempted to correlate the Hammett substituent constants for benzene systems with various scales of group electronegativity. See: (a) Sekigawa, K. Tetrahedron 1972, 28, 505.
    • (1972) Tetrahedron , vol.28 , pp. 505
    • Sekigawa, K.1
  • 62
    • 85039526665 scopus 로고    scopus 로고
    • note
    • 4) and group electronegativities (spacer = nil) are different substituent constants for different X-spacer-Y systems.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.