메뉴 건너뛰기




Volumn 62, Issue 10, 1997, Pages 3046-3048

A Density Functional Theory Study of Secondary Orbital Overlap in Endo Cycloaddition Reactions. An Example of a Diels-Alder Reaction between Butadiene and Cyclopropene

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001148030     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9620223     Document Type: Article
Times cited : (48)

References (41)
  • 5
    • 84961468976 scopus 로고
    • Gleiter, R.; Bohm, M. C. Pure Appl. Chem. 1983, 55, 237. Apeloig, Y.; Matzner, E. J. Am. Chem. Soc. 1995, 117, 5375. Binger, P.; Wedemann, P.; Goddard, R.; Brinker, U. H. J. Org. Chem. 1996, 61, 6462.
    • (1983) Pure Appl. Chem. , vol.55 , pp. 237
    • Gleiter, R.1    Bohm, M.C.2
  • 6
    • 0347196776 scopus 로고
    • Gleiter, R.; Bohm, M. C. Pure Appl. Chem. 1983, 55, 237. Apeloig, Y.; Matzner, E. J. Am. Chem. Soc. 1995, 117, 5375. Binger, P.; Wedemann, P.; Goddard, R.; Brinker, U. H. J. Org. Chem. 1996, 61, 6462.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 5375
    • Apeloig, Y.1    Matzner, E.2
  • 7
    • 0001399489 scopus 로고    scopus 로고
    • Gleiter, R.; Bohm, M. C. Pure Appl. Chem. 1983, 55, 237. Apeloig, Y.; Matzner, E. J. Am. Chem. Soc. 1995, 117, 5375. Binger, P.; Wedemann, P.; Goddard, R.; Brinker, U. H. J. Org. Chem. 1996, 61, 6462.
    • (1996) J. Org. Chem. , vol.61 , pp. 6462
    • Binger, P.1    Wedemann, P.2    Goddard, R.3    Brinker, U.H.4
  • 12
    • 2342430094 scopus 로고
    • Roothaan, C. C. Rev. Mod. Phys. 1951, 23, 69. Hall, G. G. Proc. R. Soc. (London) 1951, A205, 541.
    • (1951) Rev. Mod. Phys. , vol.23 , pp. 69
    • Roothaan, C.C.1
  • 13
    • 2342430094 scopus 로고
    • Roothaan, C. C. Rev. Mod. Phys. 1951, 23, 69. Hall, G. G. Proc. R. Soc. (London) 1951, A205, 541.
    • (1951) Proc. R. Soc. (London) , vol.A205 , pp. 541
    • Hall, G.G.1
  • 14
    • 6944251055 scopus 로고
    • Møller, C.; Plesset, M. S. Phys. Rev. 1934, 90, 618. Carsky, P.; Hess, B. A., Jr.; Schaad, L. J. J. Comput. Chem. 1984, 5, 280.
    • (1934) Phys. Rev. , vol.90 , pp. 618
    • Møller, C.1    Plesset, M.S.2
  • 19
    • 0345491105 scopus 로고
    • Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785. Miehlich, B.; Savin, A. Soll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200.
    • (1988) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 23
    • 84889232624 scopus 로고    scopus 로고
    • Wavefunction, Inc., 18401 Von Karman Ave, #370, Irvine, CA 92715
    • SPARTAN version 4.0. Wavefunction, Inc., 18401 Von Karman Ave, #370, Irvine, CA 92715.
    • SPARTAN Version 4.0
  • 24
    • 0000782133 scopus 로고    scopus 로고
    • and references therein
    • Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1995, 358, 139 and references therein. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1996, 365, 55; Jursic, B. S.; LeBlanc, B. J. Heterocycl. Chem. 1996, 33, 1389. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press. Jursic, B. S. J. Heterocycl. Chem., in press.
    • (1995) J. Mol. Struct. (THEOCHEM) , vol.358 , pp. 139
    • Jursic, B.S.1
  • 25
    • 0004769909 scopus 로고    scopus 로고
    • Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1995, 358, 139 and references therein. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1996, 365, 55; Jursic, B. S.; LeBlanc, B. J. Heterocycl. Chem. 1996, 33, 1389. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press. Jursic, B. S. J. Heterocycl. Chem., in press.
    • (1996) J. Mol. Struct. (THEOCHEM) , vol.365 , pp. 55
    • Jursic, B.S.1
  • 26
    • 0043220218 scopus 로고    scopus 로고
    • Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1995, 358, 139 and references therein. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1996, 365, 55; Jursic, B. S.; LeBlanc, B. J. Heterocycl. Chem. 1996, 33, 1389. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press. Jursic, B. S. J. Heterocycl. Chem., in press.
    • (1996) J. Heterocycl. Chem. , vol.33 , pp. 1389
    • Jursic, B.S.1    LeBlanc, B.2
  • 27
    • 0000782133 scopus 로고    scopus 로고
    • in press
    • Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1995, 358, 139 and references therein. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1996, 365, 55; Jursic, B. S.; LeBlanc, B. J. Heterocycl. Chem. 1996, 33, 1389. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press. Jursic, B. S. J. Heterocycl. Chem., in press.
    • J. Mol. Struct. (THEOCHEM)
    • Jursic, B.S.1
  • 28
    • 0000782133 scopus 로고    scopus 로고
    • in press
    • Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1995, 358, 139 and references therein. Jursic, B. S. J. Mol. Struct. (THEOCHEM) 1996, 365, 55; Jursic, B. S.; LeBlanc, B. J. Heterocycl. Chem. 1996, 33, 1389. Jursic, B. S. J. Mol. Struct. (THEOCHEM), in press. Jursic, B. S. J. Heterocycl. Chem., in press.
    • J. Heterocycl. Chem.
    • Jursic, B.S.1
  • 30
    • 0000262607 scopus 로고
    • 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
  • 31
    • 0000586846 scopus 로고
    • 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
  • 32
    • 0001518120 scopus 로고
    • 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
  • 33
    • 33748960439 scopus 로고
    • Houk, K. N. Lin, Y.-T.; Evanseck, J. D. Angew. Chem., Int. Ed. Engl. 1992, 31, 682. Houk, K. N.; Gonzalez, J.; Li, Y. Acc. Chem. Res. 1995, 28, 81. Jorgensen, W. L.; Lim, D.; Blake, J. F. J. Am. Chem. Soc. 1993, 115, 2936.
    • (1992) Angew. Chem., Int. Ed. Engl. , vol.31 , pp. 682
    • Houk, K.N.1    Lin, Y.-T.2    Evanseck, J.D.3
  • 34
    • 0002549529 scopus 로고
    • Houk, K. N. Lin, Y.-T.; Evanseck, J. D. Angew. Chem., Int. Ed. Engl. 1992, 31, 682. Houk, K. N.; Gonzalez, J.; Li, Y. Acc. Chem. Res. 1995, 28, 81. Jorgensen, W. L.; Lim, D.; Blake, J. F. J. Am. Chem. Soc. 1993, 115, 2936.
    • (1995) Acc. Chem. Res. , vol.28 , pp. 81
    • Houk, K.N.1    Gonzalez, J.2    Li, Y.3
  • 35
    • 0000193645 scopus 로고
    • Houk, K. N. Lin, Y.-T.; Evanseck, J. D. Angew. Chem., Int. Ed. Engl. 1992, 31, 682. Houk, K. N.; Gonzalez, J.; Li, Y. Acc. Chem. Res. 1995, 28, 81. Jorgensen, W. L.; Lim, D.; Blake, J. F. J. Am. Chem. Soc. 1993, 115, 2936.
    • (1993) J. Am. Chem. Soc. , vol.115 , pp. 2936
    • Jorgensen, W.L.1    Lim, D.2    Blake, J.F.3
  • 36
    • 0000250692 scopus 로고    scopus 로고
    • Computing Transition State Structures with Density Functional Theory Methods
    • Seminario, J. M., Ed.; Elsevier: Amsterdam
    • 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
    • Jursic, B.S.1
  • 37
    • 37049091012 scopus 로고
    • 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
  • 38
    • 0000088915 scopus 로고
    • and references therein
    • 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
  • 39
    • 0000959473 scopus 로고
    • 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
  • 40
    • 0011493384 scopus 로고
    • 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
  • 41
    • 84985502129 scopus 로고
    • 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.