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Volumn 19, Issue 19, 2000, Pages 3895-3908

C-H bond activation of benzene and methane by M(η2-O2CH)2 (M = Pd or Pt). A theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; BENZENE; BOND STRENGTH (CHEMICAL); CHEMICAL ACTIVATION; HYDROGEN BONDS; METHANE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PALLADIUM COMPOUNDS; PLATINUM COMPOUNDS;

EID: 0034683363     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om000002s     Document Type: Article
Times cited : (196)

References (151)
  • 14
    • 0020766699 scopus 로고
    • (a) Janowicz, A. H.; Bergman, R. G. J. Am. Chem. Soc. 1982, 104, 352; 1983, 105, 3929.
    • (1983) J. Am. Chem. Soc. , vol.105 , pp. 3929
  • 22
    • 0001321140 scopus 로고
    • (a) Jones, W. D.; Feher, F. J. J. Am. Chem. Soc. 1982, 104, 4240; 1986, 108, 4841; Organometallics 1983, 2, 562.
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 4841
  • 23
    • 0001024680 scopus 로고
    • (a) Jones, W. D.; Feher, F. J. J. Am. Chem. Soc. 1982, 104, 4240; 1986, 108, 4841; Organometallics 1983, 2, 562.
    • (1983) Organometallics , vol.2 , pp. 562
  • 145
    • 85088170440 scopus 로고    scopus 로고
    • note
    • 4-coordination structure in which benzene coordinates with Pd(0) through four C atoms. However, the geometry optimization led to PC3c.
  • 147
    • 12944258660 scopus 로고    scopus 로고
    • note
    • 3 < H (hydride).
  • 150
    • 12944316381 scopus 로고    scopus 로고
    • note
    • The HOMO does not involve any bonding interaction between benzene and Pd. This HOMO originates from the most stable π orbital of free benzene.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.