메뉴 건너뛰기




Volumn 25, Issue 24, 2006, Pages 5795-5799

C-H⋯O hydrogen bond-directed ligand exchange reaction: Diastereoselective synthesis of P,S-bridged (μ-alkyne)Co2(CO) 4 complexes

Author keywords

[No Author keywords available]

Indexed keywords

COBALT COMPOUNDS; COMPLEXATION; ISOMERIZATION; REACTION KINETICS; STEREOCHEMISTRY; SYNTHESIS (CHEMICAL);

EID: 33845249160     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om060656m     Document Type: Article
Times cited : (8)

References (29)
  • 8
    • 0041931310 scopus 로고    scopus 로고
    • Desiraju, G. R., Steiner, T., Eds.; Oxford University Press: New York
    • IUCr Monographs on Crystallography; Desiraju, G. R., Steiner, T., Eds.; Oxford University Press: New York, 2001; Vol IX.
    • (2001) IUCr Monographs on Crystallography , vol.9
  • 18
    • 84890021933 scopus 로고
    • Corrections for the basis set superposition error (BSSE) were included and were determined through the counterpoise method described by Boys and Bernardi; see: Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553-556.
    • (1970) Mol. Phys. , vol.19 , pp. 553-556
    • Boys, S.F.1    Bernardi, F.2
  • 19
    • 15744375697 scopus 로고    scopus 로고
    • Gaussian, Inc.: Wallingford, CT
    • Quantum chemical calculations were performed using the Gaussian 03 program package: Frisch, M. J.; et al. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03, Revision C.02
    • Frisch, M.J.1
  • 20
    • 33845249859 scopus 로고    scopus 로고
    • note
    • See Supporting Information for a graphical representation of the computing model.
  • 27
    • 0842282173 scopus 로고    scopus 로고
    • Wavefunction, Inc.; Irvine, CA
    • Spartan '04; Wavefunction, Inc.; Irvine, CA.
    • Spartan '04
  • 28
    • 0001263521 scopus 로고    scopus 로고
    • PM3(tm) provides a good reproduction of the structural features of X-ray crystal data for alkyne-dicobalt carbonyl complexes. However, this level of theory shows a tendency to saturate vacant coordination sites on cobalt through bridging carbonyls or through agostic interactions with hydrogen atoms. See: Verdaguer, X.; Vazquez, J.; Fuster, G.; Bernardes-Genisson, V.; Greene, A. E.; Moyano, A.; Pericas, M. A.; Riera, A. J. Org. Chem. 1998, 63, 7037-7052. To validate the significance of intermediates bearing bridging carbonyls, independent geometry optimization of these structures was performed at the DFT level.
    • (1998) J. Org. Chem. , vol.63 , pp. 7037-7052
    • Verdaguer, X.1    Vazquez, J.2    Fuster, G.3    Bernardes-Genisson, V.4    Greene, A.E.5    Moyano, A.6    Pericas, M.A.7    Riera, A.8


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.