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Volumn 20, Issue 10, 2001, Pages 2065-2075

Enhancement of CO insertion into a Pd-C bond in a Pd-Co heterodinuclear complex

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL INSERTION REACTION; ELECTRON DONATION; HETERODINUCLEAR METHYL COMPLEXES; HYBRID DENSITY FUNCTIONAL THEORY; METATHETICAL REACTIONS; METHYL MIGRATION; X RAY STRUCTURE ANALYSIS;

EID: 0035858962     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om001037v     Document Type: Article
Times cited : (40)

References (65)
  • 18
    • 0003898591 scopus 로고    scopus 로고
    • (a) Braunstein, P., Oro, L. A., Raithby, P. R., Eds.; Wiley-VCH: Weinheim, Germany
    • (a) Braunstein, P., Oro, L. A., Raithby, P. R., Eds. Metal Clusters in Chemistry; Wiley-VCH: Weinheim, Germany, 1999.
    • (1999) Metal Clusters in Chemistry
  • 21
    • 0003663626 scopus 로고
    • (d) Shriver, D. F., Kaesz, H., Adams, R. D., Eds.; VCH: New York
    • (d) Shriver, D. F., Kaesz, H., Adams, R. D., Eds. The Chemistry of Metal Cluster Complexes; VCH: New York, 1990.
    • (1990) The Chemistry of Metal Cluster Complexes
  • 31
    • 0011445203 scopus 로고    scopus 로고
    • note
    • Due to the small size and low quality of the single crystals for 4, the diffractometer could not collect enough reflection data (reflection/parameter ratio 3.0) even though the R value and GOF (R = 0.073, GOF = 1.87) were reasonable. Therefore, we have avoided detailed discussion concerning the bond distances and angles, except for the Pd-Co bond and the overall structure of 4.
  • 36
    • 0011392636 scopus 로고    scopus 로고
    • note
    • 13CO labeling experiment.
  • 39
    • 0011490803 scopus 로고    scopus 로고
    • note
    • The localized orbitals obtained from the RHF orbitals are qualitatively the same as the those based on the Kohn-Sham orbitals.
  • 44
    • 0011393294 scopus 로고    scopus 로고
    • note
    • 4 the structure with a Co-O interaction is more stable than that with an agostic interaction. This is true in the Pd-Co complex. The structure with the Co-O interaction is 4 kcal/mol more stable than 9a. However, the transition state for the acetyl migration is not connected to it, and therefore we omitted it in discussions.
  • 45
    • 0011446714 scopus 로고    scopus 로고
    • note
    • 3 in good yield, but no insertion product was obtained.
    • Komiya, S.1
  • 46
    • 0003438540 scopus 로고
    • note; Cornell University Press: Ithaca, NY
    • (a) Pauling electronegativities for Co and W are 1.8 and 1.7, respectively. Pauling, L. The Nature of the Chemical Bond; Cornell University Press: Ithaca, NY 1960.
    • (1960) The Nature of the Chemical Bond
    • Pauling, L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.