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Volumn 28, Issue 7, 2004, Pages 880-886

Ab initio MO and DFT study of syn-sesquinorbornatrienyl dication and its isoelectronic boron analogue

Author keywords

[No Author keywords available]

Indexed keywords

BORON;

EID: 4243092581     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: 10.1039/b403802a     Document Type: Article
Times cited : (7)

References (78)
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    • eds. G. A. Olah, P. v. R. Schleyer, John Wiley, New York
    • For a pertinent reviews see e.g. (a) S. Winstein in Carbonium Ions, eds. G. A. Olah, P. v. R. Schleyer, John Wiley, New York, 1972, vol. III; (b) P. Vogel, Carbocation Chemistry, Elsevier, Amsterdam, 1985. (c) D. Lenoir and H.-U. Siehl in Houben-Weyl, ed. M. Honach, Thieme Verlag, Stuttgart, 1990, Vol. 19c; (d) R. V. Williams and H. A. Kurtz, Adv. Phys. Org. Chem., 1994, 29, 273; (e) R. V. Williams, Chem. Rev., 2001, 101, 1185.
    • (1972) Carbonium Ions , vol.3
    • Winstein, S.1
  • 2
    • 0003792563 scopus 로고
    • Elsevier, Amsterdam
    • For a pertinent reviews see e.g. (a) S. Winstein in Carbonium Ions, eds. G. A. Olah, P. v. R. Schleyer, John Wiley, New York, 1972, vol. III; (b) P. Vogel, Carbocation Chemistry, Elsevier, Amsterdam, 1985. (c) D. Lenoir and H.-U. Siehl in Houben-Weyl, ed. M. Honach, Thieme Verlag, Stuttgart, 1990, Vol. 19c; (d) R. V. Williams and H. A. Kurtz, Adv. Phys. Org. Chem., 1994, 29, 273; (e) R. V. Williams, Chem. Rev., 2001, 101, 1185.
    • (1985) Carbocation Chemistry
    • Vogel, P.1
  • 3
    • 4243194233 scopus 로고
    • ed. M. Honach, Thieme Verlag, Stuttgart
    • For a pertinent reviews see e.g. (a) S. Winstein in Carbonium Ions, eds. G. A. Olah, P. v. R. Schleyer, John Wiley, New York, 1972, vol. III; (b) P. Vogel, Carbocation Chemistry, Elsevier, Amsterdam, 1985. (c) D. Lenoir and H.-U. Siehl in Houben-Weyl, ed. M. Honach, Thieme Verlag, Stuttgart, 1990, Vol. 19c; (d) R. V. Williams and H. A. Kurtz, Adv. Phys. Org. Chem., 1994, 29, 273; (e) R. V. Williams, Chem. Rev., 2001, 101, 1185.
    • (1990) Houben-Weyl , vol.19 C
    • Lenoir, D.1    Siehl, H.-U.2
  • 4
    • 0001075237 scopus 로고
    • For a pertinent reviews see e.g. (a) S. Winstein in Carbonium Ions, eds. G. A. Olah, P. v. R. Schleyer, John Wiley, New York, 1972, vol. III; (b) P. Vogel, Carbocation Chemistry, Elsevier, Amsterdam, 1985. (c) D. Lenoir and H.-U. Siehl in Houben-Weyl, ed. M. Honach, Thieme Verlag, Stuttgart, 1990, Vol. 19c; (d) R. V. Williams and H. A. Kurtz, Adv. Phys. Org. Chem., 1994, 29, 273; (e) R. V. Williams, Chem. Rev., 2001, 101, 1185.
    • (1994) Adv. Phys. Org. Chem. , vol.29 , pp. 273
    • Williams, R.V.1    Kurtz, H.A.2
  • 5
    • 0035353517 scopus 로고    scopus 로고
    • For a pertinent reviews see e.g. (a) S. Winstein in Carbonium Ions, eds. G. A. Olah, P. v. R. Schleyer, John Wiley, New York, 1972, vol. III; (b) P. Vogel, Carbocation Chemistry, Elsevier, Amsterdam, 1985. (c) D. Lenoir and H.-U. Siehl in Houben-Weyl, ed. M. Honach, Thieme Verlag, Stuttgart, 1990, Vol. 19c; (d) R. V. Williams and H. A. Kurtz, Adv. Phys. Org. Chem., 1994, 29, 273; (e) R. V. Williams, Chem. Rev., 2001, 101, 1185.
    • (2001) Chem. Rev. , vol.101 , pp. 1185
    • Williams, R.V.1
  • 15
    • 0000880626 scopus 로고
    • and references therein
    • (c) T. Laube, Acc. Chem. Res., 1995, 28, 399 and references therein;
    • (1995) Acc. Chem. Res. , vol.28 , pp. 399
    • Laube, T.1
  • 30
    • 4243162796 scopus 로고    scopus 로고
    • note
    • 2.7]dodec-2(7),4, 9-triene.
  • 53
    • 4243162795 scopus 로고    scopus 로고
    • see refs. 25-27
    • 1: C(6)-X(12)-C(5) and C(6)-C(10)-C(9)-C(5). For alternative descriptions of the pyramidalisation angles see refs. 25-27.
  • 58
    • 4243069051 scopus 로고    scopus 로고
    • note
    • 2,5]deca-3,7-diene-9,10-diyl dication.
  • 62
    • 4243130997 scopus 로고    scopus 로고
    • note
    • Qualitatively, similar results are also obtained by Mulliken as well as by NPA analysis. Both are available on request from the author.
  • 72
    • 4243171944 scopus 로고    scopus 로고
    • see also ref. 34a
    • Present work, see also ref. 34a.
  • 73
    • 4243165211 scopus 로고    scopus 로고
    • note
    • 30 However, there is a close parallelism between the calculated energy differences involving the first three MOs and those of the measured IE.
  • 74
    • 0004119863 scopus 로고
    • Springer Verlag, Berlin-Heidelberg-New York, and references therein
    • K. Fukui, Theory of Orientation and Stereoselection, Springer Verlag, Berlin-Heidelberg-New York, 1975 and references therein.
    • (1975) Theory of Orientation and Stereoselection
    • Fukui, K.1


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