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Volumn 45, Issue 18, 2006, Pages 2941-2944

Regiospecific C-H bond activation: Reversible H/D exchange promoted by CuI complexes with triazamacrocyclic ligands

Author keywords

Agostic interactions; C H activation; Copper; Density functional calculations; Isotopic labeling

Indexed keywords

ACTIVATION ANALYSIS; COPPER; DEUTERIUM; NITROGEN COMPOUNDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; REACTION KINETICS;

EID: 33746191861     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200504222     Document Type: Article
Times cited : (40)

References (34)
  • 3
    • 0031678723 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 1998, 37, 2180-2192.
    • (1998) Angew. Chem. Int. Ed. , vol.37 , pp. 2180-2192
  • 9
    • 0035886138 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2001, 40, 3750-3781.
    • (2001) Angew. Chem. Int. Ed. , vol.40 , pp. 3750-3781
  • 19
    • 0037118880 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2002, 41, 2991-2994;
    • (2002) Angew. Chem. Int. Ed. , vol.41 , pp. 2991-2994
  • 21
    • 33746204271 scopus 로고    scopus 로고
    • note
    • a signal is observed because the exchange occurs between the protons of the alcohol groups.
  • 22
    • 33746232146 scopus 로고    scopus 로고
    • note
    • Calculations were performed with the ADF program using the BP86 functional combined with a DZP basis set for C, N, O, and H, and a TZP basis set for Cu. See Supporting Information for further details.
  • 23
    • 33746232145 scopus 로고    scopus 로고
    • note
    • 3CN molecule, and formation of a coordination polymer (these results will be published elsewhere).
  • 24
    • 33746247949 scopus 로고    scopus 로고
    • note
    • 1H NMR spectroscopy), which gives support to the formation of a transient aryl copper(III) hydride.
  • 27
    • 33746232144 scopus 로고    scopus 로고
    • note
    • 1H NMR signals (probably partial decomplexation and oligomerization due to protonation of the amine moiety).
  • 28
    • 17444363026 scopus 로고    scopus 로고
    • The direct coordination of acetone to a metal center has been reported, along with the description of the keto-enol equilibrium; see: M. A. Henderson, Langmuir 2005, 21, 3451-3458;
    • (2005) Langmuir , vol.21 , pp. 3451-3458
    • Henderson, M.A.1
  • 30
    • 33746204267 scopus 로고    scopus 로고
    • note
    • DFT calculations failed to locate the postulated hydride intermediate B. We are currently investigating the possibility of a solvent-assisted stabilization of this intermediate species.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.