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Volumn 130, Issue 1, 2008, Pages 20-21

Hydrogen-bond acceptance of bifunctional ligands in an alkyne-metal π complex

Author keywords

[No Author keywords available]

Indexed keywords

ALKYNE DERIVATIVE; LIGAND; METAL COMPLEX;

EID: 38349006295     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0774616     Document Type: Article
Times cited : (66)

References (27)
  • 4
    • 0035799157 scopus 로고    scopus 로고
    • For reviews, see: a
    • For reviews, see: (a) Rowlands, G. J. Tetrahedron 2001, 57, 1865-1882.
    • (2001) Tetrahedron , vol.57 , pp. 1865-1882
    • Rowlands, G.J.1
  • 13
    • 38349064131 scopus 로고    scopus 로고
    • See Supporting Information for details
    • See Supporting Information for details.
  • 16
    • 38349055670 scopus 로고    scopus 로고
    • Remarkably, direct ionization in the absence of water did not give 4 cleanly, even after prolonged reaction times or heating.
    • Remarkably, direct ionization in the absence of water did not give 4 cleanly, even after prolonged reaction times or heating.
  • 18
    • 38349029761 scopus 로고    scopus 로고
    • IR spectroscopy has been a major tool for studying hydrogen bonding of organic alkyne derivatives (e.g., refs 14a-e), but the high reactivity of 5a thus far has precluded observing its IR spectrum. (a) Steiner, T. Adv. Mol. Struct. Res. 1998, 4, 43-77.
    • IR spectroscopy has been a major tool for studying hydrogen bonding of organic alkyne derivatives (e.g., refs 14a-e), but the high reactivity of 5a thus far has precluded observing its IR spectrum. (a) Steiner, T. Adv. Mol. Struct. Res. 1998, 4, 43-77.
  • 24
    • 38349046047 scopus 로고    scopus 로고
    • Our calculations predict that 1JCH and 2JCH increase from 5c to 5a, and ascribe the shift to the Fermi contact contribution. This contribution increases with the s-character of the CH bonding MO, as the CCH bond angle becomes more linear (5c, 154°; 5a, 162°) with hydrogen bonding. These effects are a subject of future study
    • CH increase from 5c to 5a, and ascribe the shift to the Fermi contact contribution. This contribution increases with the s-character of the CH bonding MO, as the CCH bond angle becomes more linear (5c, 154°; 5a, 162°) with hydrogen bonding. These effects are a subject of future study.
  • 25
    • 0003258675 scopus 로고    scopus 로고
    • At -20°C, coupling was obscured by broadening, presumably due to alkyne rotation. See for example: Carbó, J. J, Crochet, P, Esteruelas, M. A, Jean, Y, Lledos, A, Lopez, A. M, Onate, E. Organometallics 2002, 21, 305-314. 1hJNH was not observed, but this could be expected to be less than 1 Hz
    • NH was not observed, but this could be expected to be less than 1 Hz.
  • 27
    • 38349055671 scopus 로고    scopus 로고
    • In addition, preliminary calculation of 2hJ CN gave values of -3.4 and -6.7 Hz, averaging to -5 Hz. Comparison of the other experimentally determined NMR coupling constants shown in Scheme 2 with calculated values shows that the latter are consistently about 20% too high
    • CN gave values of -3.4 and -6.7 Hz, averaging to -5 Hz. Comparison of the other experimentally determined NMR coupling constants shown in Scheme 2 with calculated values shows that the latter are consistently about 20% too high.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.