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Volumn 38, Issue 8, 1997, Pages 1305-1308

The importance of secondary orbital interactions in the stabilization of isomeric transition state structures in the cyclopropene addition to furan

Author keywords

[No Author keywords available]

Indexed keywords

FURAN DERIVATIVE;

EID: 0031584929     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(97)00064-6     Document Type: Article
Times cited : (20)

References (47)
  • 2
    • 84873055189 scopus 로고
    • Wiley, New York
    • 1. Hehre, W. J.; Radom, L.; Schleyer, P.v.R.; Pople, J. A. Ab Initio Molecular Orbital Theory, Wiley, New York, 1986; Clark, T. A Handbook of Computational Chemistry, Wiley, New York, 1986.
    • (1986) A Handbook of Computational Chemistry
    • Clark, T.1
  • 3
    • 0003569570 scopus 로고
    • Oxford University Press, New York
    • 2. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules , Oxford University Press, New York, 1989; Labanowski, J.; Andzelm, J. W. Eds., Density Functional Methods in Chemistry , Springer-Verlag, New York, 1991.
    • (1989) Density Functional Theory of Atoms and Molecules
    • Parr, R.G.1    Yang, W.2
  • 4
    • 0003442182 scopus 로고
    • Springer-Verlag, New York
    • 2. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules , Oxford University Press, New York, 1989; Labanowski, J.; Andzelm, J. W. Eds., Density Functional Methods in Chemistry , Springer-Verlag, New York, 1991.
    • (1991) Density Functional Methods in Chemistry
    • Labanowski, J.1    Andzelm, J.W.2
  • 5
    • 0001940594 scopus 로고    scopus 로고
    • 3. Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 366, 97; Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 365, 47; Jursic, B. S. Int. J. Quantum Chem. 1996, 57, 213.
    • (1996) J. Mol. Struct. (Theochem) , vol.366 , pp. 97
    • Jursic, B.S.1
  • 6
    • 0002105694 scopus 로고    scopus 로고
    • 3. Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 366, 97; Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 365, 47; Jursic, B. S. Int. J. Quantum Chem. 1996, 57, 213.
    • (1996) J. Mol. Struct. (Theochem) , vol.365 , pp. 47
    • Jursic, B.S.1
  • 7
    • 0002822866 scopus 로고    scopus 로고
    • 3. Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 366, 97; Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 365, 47; Jursic, B. S. Int. J. Quantum Chem. 1996, 57, 213.
    • (1996) Int. J. Quantum Chem. , vol.57 , pp. 213
    • Jursic, B.S.1
  • 11
    • 0000534991 scopus 로고    scopus 로고
    • 6. Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 366, 103; Jursic, B. S.; Timberlake, J. W.; Engel, P. S. Tetrahedron Lett. 1996, 37, 6473; Jursic, B. S. Int. J. Quantum Chem. 1996, 59, 495.
    • (1996) J. Mol. Struct. (Theochem) , vol.366 , pp. 103
    • Jursic, B.S.1
  • 12
    • 0030565563 scopus 로고    scopus 로고
    • 6. Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 366, 103; Jursic, B. S.; Timberlake, J. W.; Engel, P. S. Tetrahedron Lett. 1996, 37, 6473; Jursic, B. S. Int. J. Quantum Chem. 1996, 59, 495.
    • (1996) Tetrahedron Lett. , vol.37 , pp. 6473
    • Jursic, B.S.1    Timberlake, J.W.2    Engel, P.S.3
  • 13
    • 0000689948 scopus 로고    scopus 로고
    • 6. Jursic, B. S. J. Mol. Struct. (Theochem) 1996, 366, 103; Jursic, B. S.; Timberlake, J. W.; Engel, P. S. Tetrahedron Lett. 1996, 37, 6473; Jursic, B. S. Int. J. Quantum Chem. 1996, 59, 495.
    • (1996) Int. J. Quantum Chem. , vol.59 , pp. 495
    • Jursic, B.S.1
  • 18
    • 0011395522 scopus 로고
    • 11. Geibel, K; Heindl, J. Tetrahedron Lett. 1970, 11, 2133; Battiste, M. A.; Sprouse, C. T., Jr. Tetrahedron Lett. 1970, 11, 3165; Battiste, M. A.; Sprouse, C. T., Jr. Tetrahedron Lett. 1970, 11, 4661.
    • (1970) Tetrahedron Lett. , vol.11 , pp. 2133
    • Geibel, K.1    Heindl, J.2
  • 19
    • 49849114419 scopus 로고
    • 11. Geibel, K; Heindl, J. Tetrahedron Lett. 1970, 11, 2133; Battiste, M. A.; Sprouse, C. T., Jr. Tetrahedron Lett. 1970, 11, 3165; Battiste, M. A.; Sprouse, C. T., Jr. Tetrahedron Lett. 1970, 11, 4661.
    • (1970) Tetrahedron Lett. , vol.11 , pp. 3165
    • Battiste, M.A.1    Sprouse C.T., Jr.2
  • 20
    • 49849114419 scopus 로고
    • 11. Geibel, K; Heindl, J. Tetrahedron Lett. 1970, 11, 2133; Battiste, M. A.; Sprouse, C. T., Jr. Tetrahedron Lett. 1970, 11, 3165; Battiste, M. A.; Sprouse, C. T., Jr. Tetrahedron Lett. 1970, 11, 4661.
    • (1970) Tetrahedron Lett. , vol.11 , pp. 4661
    • Battiste, M.A.1    Sprouse C.T., Jr.2
  • 22
    • 0000410879 scopus 로고
    • 13. Breslow, R.; Oda, M. J. Am. Chem. Soc. 1972, 94, 4787; Oda, M. Breslow, R.; Pecoraro, J. Tetrahedron Lett. 1972, 13, 4419
    • (1972) J. Am. Chem. Soc. , vol.94 , pp. 4787
    • Breslow, R.1    Oda, M.2
  • 25
    • 0011489326 scopus 로고    scopus 로고
    • note
    • 22
  • 27
    • 2342430094 scopus 로고
    • 17. Roothaan, C. C. Rev. Mod. Phys., 19951, 23, 69; Hall, G. G. Proc. Roy. Soc. (London), 1951, A205, 541.
    • (1951) Rev. Mod. Phys. , vol.23 , pp. 69
    • Roothaan, C.C.1
  • 28
    • 0001574917 scopus 로고
    • 17. Roothaan, C. C. Rev. Mod. Phys., 19951, 23, 69; Hall, G. G. Proc. Roy. Soc. (London), 1951, A205, 541.
    • (1951) Proc. Roy. Soc. (London) , vol.A205 , pp. 541
    • Hall, G.G.1
  • 34
    • 0000262607 scopus 로고
    • 23. Hammond, G. S. J. Am. Chem. Soc. 1955, 77, 344; For analytical functions that describe the reaction coordinates and reproduce the Hammond behavior see LeNoble, W. J.; Miller, A. R.; Hamann, S. D. J. Org. Chem. 1977, 42, 338; Miller, A. R. J. Am. Chem. Soc. 1978, 100, 1984.
    • (1955) J. Am. Chem. Soc. , vol.77 , pp. 344
    • Hammond, G.S.1
  • 35
    • 0000586846 scopus 로고
    • 23. Hammond, G. S. J. Am. Chem. Soc. 1955, 77, 344; For analytical functions that describe the reaction coordinates and reproduce the Hammond behavior see LeNoble, W. J.; Miller, A. R.; Hamann, S. D. J. Org. Chem. 1977, 42, 338; Miller, A. R. J. Am. Chem. Soc. 1978, 100, 1984.
    • (1977) J. Org. Chem. , vol.42 , pp. 338
    • LeNoble, W.J.1    Miller, A.R.2    Hamann, S.D.3
  • 36
    • 0001518120 scopus 로고
    • 23. Hammond, G. S. J. Am. Chem. Soc. 1955, 77, 344; For analytical functions that describe the reaction coordinates and reproduce the Hammond behavior see LeNoble, W. J.; Miller, A. R.; Hamann, S. D. J. Org. Chem. 1977, 42, 338; Miller, A. R. J. Am. Chem. Soc. 1978, 100, 1984.
    • (1978) J. Am. Chem. Soc. , vol.100 , pp. 1984
    • Miller, A.R.1
  • 37
    • 0000250692 scopus 로고    scopus 로고
    • Computing transition state structures with density functional theory methods
    • J. M. Ed.; Elsevier, Amsterdam
    • 24. Jursic, B. S. Computing Transition State Structures with Density Functional Theory Methods, IN: Recent Developments and Applications of Modern Density Functional Theory, Seminario, J. M. Ed.; Elsevier, Amsterdam, 1996.; Jursic, B. S.; Zdravkovski, Z. J. Chem. Soc. Perkin Trans. 2 1995, 1223.
    • (1996) Recent Developments and Applications of Modern Density Functional Theory, Seminario
    • Jursic, B.S.1
  • 38
    • 37049091012 scopus 로고
    • 24. Jursic, B. S. Computing Transition State Structures with Density Functional Theory Methods, IN: Recent Developments and Applications of Modern Density Functional Theory, Seminario, J. M. Ed.; Elsevier, Amsterdam, 1996.; Jursic, B. S.; Zdravkovski, Z. J. Chem. Soc. Perkin Trans. 2 1995, 1223.
    • (1995) J. Chem. Soc. Perkin Trans. 2 , pp. 1223
    • Jursic, B.S.1    Zdravkovski, Z.2
  • 43
    • 0000088915 scopus 로고
    • and references therein
    • 29. For an excellent article concerning bond orders as a method for characterization of the reactivity, see Lendvay, G. J. Phys. Chem. 1994, 98, 6098 and references therein
    • (1994) J. Phys. Chem. , vol.98 , pp. 6098
    • Lendvay, G.1
  • 44
    • 0003510038 scopus 로고    scopus 로고
    • Wavefunction, Inc., 18401 Von Karman Ave., #370, Irvine, CA92715 U.S.A.
    • 30. Bond orders are computed with SPARTAN computational package. SPARTAN version 4.0. Wavefunction, Inc., 18401 Von Karman Ave., #370, Irvine, CA92715 U.S.A.
    • SPARTAN Version 4.0
  • 45
    • 0000959473 scopus 로고
    • 31. Fukui, K.; Fujimoto, H. Bull. Chem. Soc. Jpn. 1967, 40, 2018; Fukui, K.; Fujimoto, H. Bull. Chem. Soc. Jpn. 1969, 42, 2018; Fukui, K. Angew. Chem. Int. Ed. Engl. 1982, 21, 801.
    • (1967) Bull. Chem. Soc. Jpn. , vol.40 , pp. 2018
    • Fukui, K.1    Fujimoto, H.2
  • 46
    • 0011493384 scopus 로고
    • 31. Fukui, K.; Fujimoto, H. Bull. Chem. Soc. Jpn. 1967, 40, 2018; Fukui, K.; Fujimoto, H. Bull. Chem. Soc. Jpn. 1969, 42, 2018; Fukui, K. Angew. Chem. Int. Ed. Engl. 1982, 21, 801.
    • (1969) Bull. Chem. Soc. Jpn. , vol.42 , pp. 2018
    • Fukui, K.1    Fujimoto, H.2
  • 47
    • 84985502129 scopus 로고
    • 31. Fukui, K.; Fujimoto, H. Bull. Chem. Soc. Jpn. 1967, 40, 2018; Fukui, K.; Fujimoto, H. Bull. Chem. Soc. Jpn. 1969, 42, 2018; Fukui, K. Angew. Chem. Int. Ed. Engl. 1982, 21, 801.
    • (1982) Angew. Chem. Int. Ed. Engl. , vol.21 , pp. 801
    • Fukui, K.1


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