Philicity: A unified treatment of chemical reactivity and selectivity

被引:649
|
作者
Chattaraj, PK [1 ]
Maiti, B [1 ]
Sarkar, U [1 ]
机构
[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2003年 / 107卷 / 25期
关键词
D O I
10.1021/jp034707u
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A generalized concept of philicity is introduced through a resolution of identity, encompassing electrophilic, nucleophilic, and radial reactions. Locally, a particular molecular site may be more prone to electrophilic attack or another may be more prone to nucleophilic attack, but the overall philicity of the whole molecule remains conserved. Local philicity is by far the most powerful concept of reactivity and selectivity when compared to the global electrophilicity index, Fukui function, local softness, or global softness because it contains information about almost all of the known global and local descriptors of chemical reactivity and selectivity.
引用
收藏
页码:4973 / 4975
页数:3
相关论文
共 50 条
  • [21] Reactivity and selectivity in aggregate systems
    Tonellato, U
    PURE AND APPLIED CHEMISTRY, 1998, 70 (10) : 1961 - 1968
  • [22] Reactivity and selectivity of aryloxylium ions
    Hegarty, AF
    Keogh, JP
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 2001, Royal Society of Chemistry (05): : 758 - 762
  • [23] ON THE RELATION BETWEEN REACTIVITY AND SELECTIVITY
    LEVINE, RD
    ISRAEL JOURNAL OF CHEMISTRY, 1985, 26 (04) : 320 - 324
  • [24] THE RELATION BETWEEN REACTIVITY AND SELECTIVITY
    OGATA, Y
    TABUSHI, I
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1961, 34 (05) : 604 - 605
  • [25] Mannuronic Acids: Reactivity and Selectivity
    Codee, Jeroen D. C.
    Walvoort, Marthe T. C.
    de Jong, Ana-Rae
    Lodder, Gerrit
    Overkleeft, Herman S.
    van der Marel, Gijsbert A.
    JOURNAL OF CARBOHYDRATE CHEMISTRY, 2011, 30 (7-9) : 438 - 457
  • [26] MODELING CHEMICAL-REACTIVITY .5. FACIAL SELECTIVITY IN DIELS-ALDER CYCLOADDITIONS
    KAHN, SD
    HEHRE, WJ
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (03) : 663 - 666
  • [27] Soluble artificial metalloproteases with broad substrate selectivity, high reactivity, and high thermal and chemical stabilities
    Kim, Min Gyum
    Yoo, Sang Ho
    Chei, Woo Suk
    Lee, Tae Yeon
    Kim, Hye Mi
    Suh, Junghun
    JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2010, 15 (07): : 1023 - 1031
  • [28] Soluble artificial metalloproteases with broad substrate selectivity, high reactivity, and high thermal and chemical stabilities
    Min Gyum Kim
    Sang Ho Yoo
    Woo Suk Chei
    Tae Yeon Lee
    Hye Mi Kim
    Junghun Suh
    JBIC Journal of Biological Inorganic Chemistry, 2010, 15 : 1023 - 1031
  • [29] LINEAR REACTIVITY-SELECTIVITY CORRELATIONS IN ADDITIONS OF DIARYLCARBENIUM IONS TO ALKENES - A REBUTTAL OF THE REACTIVITY SELECTIVITY PRINCIPLE
    MAYR, H
    SCHNEIDER, R
    GRABIS, U
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1986, 25 (11): : 1017 - 1018
  • [30] REACTIVITY-SELECTIVITY PRINCIPLE .3. APPLICATION OF REACTIVITY-SELECTIVITY PRINCIPLE TO WITTIG REACTIONS
    GIESE, B
    SCHOCH, J
    RUCHARDT, C
    CHEMISCHE BERICHTE-RECUEIL, 1978, 111 (04): : 1395 - 1403