메뉴 건너뛰기




Volumn 11-12, Issue 1-4, 2000, Pages 469-485

Manifestations of the maximum complementarity principle for matching atomic softnesses in model chemisorption systems

Author keywords

Acidic basic properties; Adsorption complex allyl MoO3; Adsorption complex toluene V2O5; Cyclization reactions; Donor acceptor interactions: regional complementarity rules; Fukui function indices of atoms in molecules; Gutmann rules; Heterogeneous catalysis; Path selectivity criteria; Softnesses of atoms in molecules; Theory of chemical reactivity; Transition state complexes

Indexed keywords


EID: 0034038066     PISSN: 10225528     EISSN: None     Source Type: Journal    
DOI: 10.1023/a:1027273730694     Document Type: Article
Times cited : (21)

References (60)
  • 1
    • 0347291894 scopus 로고
    • R.G. Parr and R.G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512; R.F. Nalewajski, J. Am. Chem. Soc. 106 (1984) 944; R.G. Pearson, J. Chem. Educ. 64 (1987) 561.
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
    • Parr, R.G.1    Pearson, R.G.2
  • 2
    • 0021373816 scopus 로고
    • R.G. Parr and R.G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512; R.F. Nalewajski, J. Am. Chem. Soc. 106 (1984) 944; R.G. Pearson, J. Chem. Educ. 64 (1987) 561.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 944
    • Nalewajski, R.F.1
  • 3
    • 1842691295 scopus 로고
    • R.G. Parr and R.G. Pearson, J. Am. Chem. Soc. 105 (1983) 7512; R.F. Nalewajski, J. Am. Chem. Soc. 106 (1984) 944; R.G. Pearson, J. Chem. Educ. 64 (1987) 561.
    • (1987) J. Chem. Educ. , vol.64 , pp. 561
    • Pearson, R.G.1
  • 4
    • 33645848041 scopus 로고
    • R.F. Nalewajski, J. Phys. Chem. 89 (1985) 2831; M. Berkowitz, S.K. Ghosh and R.G. Parr, J. Am. Chem. Soc. 107 (1985) 6811; M. Berkowitz and R.G. Parr, J. Chem. Phys. 88 (1988) 2554.
    • (1985) J. Phys. Chem. , vol.89 , pp. 2831
    • Nalewajski, R.F.1
  • 5
    • 33845378183 scopus 로고
    • R.F. Nalewajski, J. Phys. Chem. 89 (1985) 2831; M. Berkowitz, S.K. Ghosh and R.G. Parr, J. Am. Chem. Soc. 107 (1985) 6811; M. Berkowitz and R.G. Parr, J. Chem. Phys. 88 (1988) 2554.
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 6811
    • Berkowitz, M.1    Ghosh, S.K.2    Parr, R.G.3
  • 6
    • 16244381588 scopus 로고
    • R.F. Nalewajski, J. Phys. Chem. 89 (1985) 2831; M. Berkowitz, S.K. Ghosh and R.G. Parr, J. Am. Chem. Soc. 107 (1985) 6811; M. Berkowitz and R.G. Parr, J. Chem. Phys. 88 (1988) 2554.
    • (1988) J. Chem. Phys. , vol.88 , pp. 2554
    • Berkowitz, M.1    Parr, R.G.2
  • 7
    • 0042534101 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
    • Parr, R.G.1    Yang, W.2
  • 8
    • 0022135674 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1985) Proc. Natl. Acad. Sci. USA , vol.82 , pp. 6723
    • Yang, W.1    Parr, R.G.2
  • 9
    • 0347136120 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 7371
    • Zhou, Z.1    Parr, R.G.2
  • 10
    • 0013602932 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 5720
  • 11
    • 0001354699 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1988) Tetrahedron Lett. , vol.29 , pp. 4843
    • Zhou, Z.1    Parr, R.G.2    Garst, J.F.3
  • 12
    • 3342943865 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 1854
    • Parr, R.G.1    Chattaraj, P.K.2
  • 13
    • 0000408410 scopus 로고
    • R.G. Parr and W. Yang, J. Am. Chem. Soc. 106 (1984) 4049; W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA 82 (1985) 6723; Z. Zhou and R.G. Parr, J. Am. Chem. Soc. 111 (1989) 7371; 112 (1990) 5720; Z. Zhou, R.G. Parr and J.F. Garst, Tetrahedron Lett. 29 (1988) 4843; R.G. Parr and P.K. Chattaraj, J. Am. Chem. Soc. 113 (1991) 1854; P.K. Chattaraj, A. Cedillo and R.G. Parr, J. Chem. Phys. 103 (1995) 7645.
    • (1995) J. Chem. Phys. , vol.103 , pp. 7645
    • Chattaraj, P.K.1    Cedillo, A.2    Parr, R.G.3
  • 15
    • 0008845023 scopus 로고
    • Springer, Heidelberg
    • K.D. Sen, ed., Electronegativity, Structure and Bonding, Vol. 66 (Springer, Heidelberg, 1987); Chemical Hardness, Structure and Bonding, Vol. 80 (Springer, Berlin, 1993).
    • (1987) Electronegativity, Structure and Bonding , vol.66
    • Sen, K.D.1
  • 16
    • 0003428857 scopus 로고
    • Springer, Berlin
    • K.D. Sen, ed., Electronegativity, Structure and Bonding, Vol. 66 (Springer, Heidelberg, 1987); Chemical Hardness, Structure and Bonding, Vol. 80 (Springer, Berlin, 1993).
    • (1993) Chemical Hardness, Structure and Bonding , vol.80
  • 19
    • 0343868067 scopus 로고    scopus 로고
    • eds. W.M. Mortier and R. Schooheydt Research Signpost, Trivandrum, ch. 4
    • R.F. Nalewajski, J. Korchowiec and A. Michalak, in: Density Functional Theory IV - Theory of Chemical Reactivity, Topics in Current Chemistry, Vol. 183, ed. R.F. Nalewajski (Springer, Heidelberg, 1996) ch. 2; R.F. Nalewajski, in: Developments in the Theory of Chemical Reactivity and Heterogeneous Catalysis, eds. W.M. Mortier and R. Schooheydt (Research Signpost, Trivandrum, 1997) ch. 4.
    • (1997) Developments in the Theory of Chemical Reactivity and Heterogeneous Catalysis
    • Nalewajski, R.F.1
  • 21
    • 0000946719 scopus 로고    scopus 로고
    • A. Michalak, F. De Proft, P. Geerlings and R.F. Nalewajski, J. Phys. Chem. A 103 (1999) 762; R. Balawender and L. Komorowski, J. Chem. Phys. 109 (1998) 5203.
    • (1998) J. Chem. Phys. , vol.109 , pp. 5203
    • Balawender, R.1    Komorowski, L.2
  • 24
    • 84987068214 scopus 로고
    • R.F. Nalewajski, Int. J. Quantum Chem. 49 (1994) 675; 56 (1995) 453; 61 (1997) 181; 69 (1998) 591; Polish J. Chem. 72 (1998) 1763.
    • (1994) Int. J. Quantum Chem. , vol.49 , pp. 675
    • Nalewajski, R.F.1
  • 25
    • 84981641588 scopus 로고
    • R.F. Nalewajski, Int. J. Quantum Chem. 49 (1994) 675; 56 (1995) 453; 61 (1997) 181; 69 (1998) 591; Polish J. Chem. 72 (1998) 1763.
    • (1995) Int. J. Quantum Chem. , vol.56 , pp. 453
  • 26
    • 0346617112 scopus 로고    scopus 로고
    • R.F. Nalewajski, Int. J. Quantum Chem. 49 (1994) 675; 56 (1995) 453; 61 (1997) 181; 69 (1998) 591; Polish J. Chem. 72 (1998) 1763.
    • (1997) Int. J. Quantum Chem. , vol.61 , pp. 181
  • 27
    • 0001400272 scopus 로고    scopus 로고
    • R.F. Nalewajski, Int. J. Quantum Chem. 49 (1994) 675; 56 (1995) 453; 61 (1997) 181; 69 (1998) 591; Polish J. Chem. 72 (1998) 1763.
    • (1998) Int. J. Quantum Chem. , vol.69 , pp. 591
  • 28
    • 0032353551 scopus 로고    scopus 로고
    • R.F. Nalewajski, Int. J. Quantum Chem. 49 (1994) 675; 56 (1995) 453; 61 (1997) 181; 69 (1998) 591; Polish J. Chem. 72 (1998) 1763.
    • (1998) Polish J. Chem. , vol.72 , pp. 1763
  • 29
    • 10644250257 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136B (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. 140A (1965) 1133; N.D. Mermin, Phys. Rev. 137A (1965) 1441.
    • (1964) Phys. Rev. , vol.136 B , pp. 864
    • Hohenberg, P.1    Kohn, W.2
  • 30
    • 0042113153 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136B (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. 140A (1965) 1133; N.D. Mermin, Phys. Rev. 137A (1965) 1441.
    • (1965) Phys. Rev. , vol.140 A , pp. 1133
    • Kohn, W.1    Sham, L.J.2
  • 31
    • 36049046910 scopus 로고
    • P. Hohenberg and W. Kohn, Phys. Rev. 136B (1964) 864; W. Kohn and L.J. Sham, Phys. Rev. 140A (1965) 1133; N.D. Mermin, Phys. Rev. 137A (1965) 1441.
    • (1965) Phys. Rev. , vol.137 A , pp. 1441
    • Mermin, N.D.1
  • 38
    • 0031675942 scopus 로고    scopus 로고
    • R.F. Nalewajski and A. Michalak, J. Phys. Chem. 100 (1996) 20076; J. Phys. Chem. A 102 (1998) 636.
    • (1998) J. Phys. Chem. A , vol.102 , pp. 636
  • 44
    • 0001213518 scopus 로고
    • R.T. Sanderson, J. Am. Chem. Soc. 74 (1952) 272; Chemical Bonding and Bond Energy (Academic Press, New York, 1976).
    • (1952) J. Am. Chem. Soc. , vol.74 , pp. 272
    • Sanderson, R.T.1
  • 45
    • 0001213518 scopus 로고
    • Academic Press, New York
    • R.T. Sanderson, J. Am. Chem. Soc. 74 (1952) 272; Chemical Bonding and Bond Energy (Academic Press, New York, 1976).
    • (1976) Chemical Bonding and Bond Energy
  • 47
    • 0345114077 scopus 로고
    • R.G. Pearson, J. Am. Chem. Soc. 85 (1963) 3533; Science 151 (1966) 172; Hard and Soft Acids and Bases (Dowden, Hutchinson and Ross, Stroudsburg, 1973); C.K. Jørgensen, Inorg. Chem. 3 (1964) 1201.
    • (1963) J. Am. Chem. Soc. , vol.85 , pp. 3533
    • Pearson, R.G.1
  • 48
    • 0342996701 scopus 로고
    • R.G. Pearson, J. Am. Chem. Soc. 85 (1963) 3533; Science 151 (1966) 172; Hard and Soft Acids and Bases (Dowden, Hutchinson and Ross, Stroudsburg, 1973); C.K. Jørgensen, Inorg. Chem. 3 (1964) 1201.
    • (1966) Science , vol.151 , pp. 172
  • 50
    • 33947487991 scopus 로고
    • R.G. Pearson, J. Am. Chem. Soc. 85 (1963) 3533; Science 151 (1966) 172; Hard and Soft Acids and Bases (Dowden, Hutchinson and Ross, Stroudsburg, 1973); C.K. Jørgensen, Inorg. Chem. 3 (1964) 1201.
    • (1964) Inorg. Chem. , vol.3 , pp. 1201
    • Jørgensen, C.K.1
  • 52
    • 0004124406 scopus 로고
    • MIT Press, Cambridge, MA
    • H.B. Callen, Thermodynamics: An Introduction to the Physical Theories of Equilibrium Thermostatics and Irreversible Thermodynamics (Wiley, New York, 1960); L. Tisza, Generalized Thermodynamics (MIT Press, Cambridge, MA, 1977).
    • (1977) Generalized Thermodynamics
    • Tisza, L.1
  • 53
  • 54
    • 84981641588 scopus 로고
    • (a) R.F. Nalewajski, J. Mol. Catal. 82 (1993) 371; Int. J. Quantum Chem. 56 (1995) 453;
    • (1995) Int. J. Quantum Chem. , vol.56 , pp. 453
  • 57
  • 58
  • 59
    • 0346077597 scopus 로고
    • B. Grzybowska, J. Haber and J. Janas, J. Catal. 49 (1977) 150; K. Brückman, J. Haber and T. Wiltowski, J. Catal. 106 (1987) 188.
    • (1977) J. Catal. , vol.49 , pp. 150
    • Grzybowska, B.1    Haber, J.2    Janas, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.