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Volumn 16, Issue 14, 1997, Pages 3148-3157

Enhanced conjugation in 1,4-digermabutadiene

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Indexed keywords


EID: 0009340301     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om970179v     Document Type: Article
Times cited : (9)

References (63)
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    • note
    • +). Of course, both forms are also associated with the neutral determinants with one π electron at each center.
  • 16
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    • For other measures of delocalization or resonance in butadiene and heterobutadienes, see: (a) Wiberg, K. B.; Rablen, P. R.; Marquez, M. J. Am. Chem. Soc. 1992, 114, 8654. (b) Mo, Y.; Wu, W.; Zhang, Q. J. Phys. Chem. 1994, 98, 10048. (c) Mo, Y.; Zhang, Q. J. Mol. Struct. (Theochem) 1995, 357, 171.
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    • For other measures of delocalization or resonance in butadiene and heterobutadienes, see: (a) Wiberg, K. B.; Rablen, P. R.; Marquez, M. J. Am. Chem. Soc. 1992, 114, 8654. (b) Mo, Y.; Wu, W.; Zhang, Q. J. Phys. Chem. 1994, 98, 10048. (c) Mo, Y.; Zhang, Q. J. Mol. Struct. (Theochem) 1995, 357, 171.
    • (1994) J. Phys. Chem. , vol.98 , pp. 10048
    • Mo, Y.1    Wu, W.2    Zhang, Q.3
  • 18
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    • For other measures of delocalization or resonance in butadiene and heterobutadienes, see: (a) Wiberg, K. B.; Rablen, P. R.; Marquez, M. J. Am. Chem. Soc. 1992, 114, 8654. (b) Mo, Y.; Wu, W.; Zhang, Q. J. Phys. Chem. 1994, 98, 10048. (c) Mo, Y.; Zhang, Q. J. Mol. Struct. (Theochem) 1995, 357, 171.
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    • note
    • Similar contrast was previously noticed on 3,4-disilacy- clobutene, the strain energy of which was predicted at about 2/3 of that of cyclobutene (see ref 15).
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    • Thermal interconversion between 3,4-disilacyclobutene and 1,4- disilabutadiene was proposed more than 20 years ago, see: Barton, T. J.; Kilgour, J. A. J. Am. Chem. Soc. 1974, 96, 7150; Ibid. 1976, 98, 7746.
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    • Thermal interconversion between 3,4-disilacyclobutene and 1,4- disilabutadiene was proposed more than 20 years ago, see: Barton, T. J.; Kilgour, J. A. J. Am. Chem. Soc. 1974, 96, 7150; Ibid. 1976, 98, 7746.
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    • Inclusion of zero-point vibrational energies reduces this number by 0.6 kcal/mol
    • Inclusion of zero-point vibrational energies reduces this number by 0.6 kcal/mol.
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    • Both theory and experiment agree with a value of 4.3-4.5 kcal/ mol for the inversion barrier of the germyl radical, see: Johson, R. D.; Tsai, B. P.; Hudgens, J. W. J. Chem. Phys. 1988, 89, 4558. Moc, J.; Rudzinski, J. M.; Ratajczak, H. Z. Phys. D. 1992, 22, 629. Bickelhaupt, F. M.; Ziegler, T.; Schleyer, P. v R. Organometallics 1996, 15, 1477.
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    • Both theory and experiment agree with a value of 4.3-4.5 kcal/ mol for the inversion barrier of the germyl radical, see: Johson, R. D.; Tsai, B. P.; Hudgens, J. W. J. Chem. Phys. 1988, 89, 4558. Moc, J.; Rudzinski, J. M.; Ratajczak, H. Z. Phys. D. 1992, 22, 629. Bickelhaupt, F. M.; Ziegler, T.; Schleyer, P. v R. Organometallics 1996, 15, 1477.
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    • Moc, J.1    Rudzinski, J.M.2    Ratajczak, H.3
  • 43
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    • Both theory and experiment agree with a value of 4.3-4.5 kcal/ mol for the inversion barrier of the germyl radical, see: Johson, R. D.; Tsai, B. P.; Hudgens, J. W. J. Chem. Phys. 1988, 89, 4558. Moc, J.; Rudzinski, J. M.; Ratajczak, H. Z. Phys. D. 1992, 22, 629. Bickelhaupt, F. M.; Ziegler, T.; Schleyer, P. v R. Organometallics 1996, 15, 1477.
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    • note
    • 2 can be syn or anti with respect to its neighboring C-H) would require an exploration of the potential surface at higher computational level.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.