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Volumn 129, Issue 17, 2007, Pages 5330-5331

Direct measurements of deuterium kinetic isotope effects in anionic, gas-phase substitution and elimination reactions

Author keywords

[No Author keywords available]

Indexed keywords

ANION; ISOTOPE;

EID: 34247863742     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja070093l     Document Type: Article
Times cited : (47)

References (23)
  • 12
    • 34247894520 scopus 로고    scopus 로고
    • N2 channel (accounting for the contribution of the added alkyl group).
    • N2 channel (accounting for the contribution of the added alkyl group).
  • 13
    • 34247845122 scopus 로고    scopus 로고
    • All frequency calculations were completed with Gaussian03 at the HF/6-31+G(d) level for bromides and HF/6-311+G(d) level for iodides (Radom's all-electron iodide basis set was used). Energies at MP2 level. Details in Supporting Information. Frisch, M. J.; et al. Gaussian 03, revision B04; Gaussian, Inc.: Pittsburgh, PA, 2003.
    • All frequency calculations were completed with Gaussian03 at the HF/6-31+G(d) level for bromides and HF/6-311+G(d) level for iodides (Radom's all-electron iodide basis set was used). Energies at MP2 level. Details in Supporting Information. Frisch, M. J.; et al. Gaussian 03, revision B04; Gaussian, Inc.: Pittsburgh, PA, 2003.
  • 15
    • 34247894523 scopus 로고    scopus 로고
    • N2 reactions of methyl halides, but the single α-hydrogen and special features of the iodide leaving group in i-PrI combine to give a normal one.
    • N2 reactions of methyl halides, but the single α-hydrogen and special features of the iodide leaving group in i-PrI combine to give a normal one.
  • 19
    • 34247897752 scopus 로고    scopus 로고
    • 3OD (ESI and substrate) with no significant effect on the HX to DX elimination ratio.
    • 3OD (ESI and substrate) with no significant effect on the HX to DX elimination ratio.
  • 20
    • 34247883386 scopus 로고    scopus 로고
    • Using typical ab initio imaginary frequencies, the tunneling contribution leads to only 70% increase in kH relative to k D
    • D.
  • 22
    • 34247843545 scopus 로고    scopus 로고
    • A truncated Boltzmann distribution would have the same effect
    • A truncated Boltzmann distribution would have the same effect.
  • 23
    • 34247885011 scopus 로고    scopus 로고
    • 3 also suggest an E2 isotope effect of about 7 with these nucleophiles.
    • 3 also suggest an E2 isotope effect of about 7 with these nucleophiles.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.