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Volumn 125, Issue 48, 2003, Pages 14750-14759

Copper(I) Chloride Initiated Decomposition of 7-Phosphanorbornadiene. Evidence for a Solvent-Assisted Catalytic Mechanism

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; CATALYSIS; CHEMICAL BONDS; COMPLEXATION; COPPER COMPOUNDS; OLEFINS; PROBABILITY DENSITY FUNCTION;

EID: 0345724800     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0349958     Document Type: Article
Times cited : (33)

References (108)
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    • (d) Platz, M. S. In Advances in Carbene Chemistry; Brinker, U. H., Ed.; JAI Press: Greenwich, CT, 1998; Vol. 2, p 133.
    • (1998) Advances in Carbene Chemistry , vol.2 , pp. 133
    • Platz, M.S.1
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    • Brinker, U. H., Ed.; JAI Press: Greenwich, CT
    • (g) Bonneau, R.; Liu, M. T. H. In Advances in Carbene Chemistry; Brinker, U. H., Ed.; JAI Press: Greenwich, CT, 1998; Vol. 2, p 1.
    • (1998) Advances in Carbene Chemistry , vol.2 , pp. 1
    • Bonneau, R.1    Liu, M.T.H.2
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    • Molden: A pre- and post-processing program for molecular and electronic structures
    • Schaftenaar G.; Noordik, J. H. Molden: a pre- and post-processing program for molecular and electronic structures. J. Comput.-Aided Mol. Des. 2000, 14, 123.
    • (2000) J. Comput.-Aided Mol. Des. , vol.14 , pp. 123
    • Schaftenaar, G.1    Noordik, J.H.2
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    • note
    • s-symmetry structure, but less stable when zero-point corrections were included.
  • 80
    • 0000097150 scopus 로고    scopus 로고
    • Schleyer, P. v. R., Ed.; Wiley Publishers: New York
    • (c) Weinhold, F. A. In Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Ed.; Wiley Publishers: New York, 1998: Vol. 3, pp 1792-1810.
    • (1998) Encyclopedia of Computational Chemistry , vol.3 , pp. 1792-1810
    • Weinhold, F.A.1
  • 87
    • 20244377747 scopus 로고    scopus 로고
    • note
    • The much smaller energy separation between the singlet states of PPh (4, 1 kcal/mol) as compared to that for NPh (18.4 kcal/mol) is due to the smaller Coulomb repulsion at the phosphorus center, which reduces the driving force for the open-shell singlet to delocalize an electron over the phenyl ring.24
  • 97
    • 20244378423 scopus 로고    scopus 로고
    • note
    • 5 fragment.
  • 103
    • 20244384316 scopus 로고    scopus 로고
    • note
    • i symmetry resulted in essentially no change, except for only one imaginary frequency (3i).
  • 104
    • 20244366462 scopus 로고    scopus 로고
    • note
    • i symmetry, due to the coordinating phospholene ligands, the agreement between theory and the X-ray structure is quite reasonable.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.