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Volumn 28, Issue 11, 2009, Pages 3123-3128

Trends in the reactivity of the C pMn(CO) 2(η 2-arene) bond [arene = benzene, toluene, o-xylene, m-xylene, p-xylene, and mesitylene]: an experimental and theoretical investigation

Author keywords

[No Author keywords available]

Indexed keywords

ARENE LIGANDS; AROMATIC SYSTEM; C-H BOND; DISSOCIATIVE MECHANISMS; EXPERIMENTAL ANALYSIS; M-XYLENE; METAL BINDING; O-XYLENE; P-XYLENE; RELATIVE DISPLACEMENT; RELATIVE RATES; STERIC FACTOR; THEORETICAL INVESTIGATIONS; THEORETICAL MODELING;

EID: 66349116991     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om801185t     Document Type: Article
Times cited : (4)

References (28)
  • 12
    • 66349084840 scopus 로고    scopus 로고
    • Frisch, M. J.; et al.Gaussian 03, Rev. isions B. and B.05; Gaussian, or heptane from Inc.: Wallingford, CT, 2004.
    • Frisch, M. J.; et al.Gaussian 03, Rev. isions B. and B.05; Gaussian, or heptane from Inc.: Wallingford, CT, 2004.
  • 24
    • 66349119677 scopus 로고    scopus 로고
    • At the B3LYP/6-31G* level of theory, the C pMn(CO) 2-(CyH) binding energy was calculated to be 35.6 kJ/mol, similar to the previously determined value of 31.6 kJ/mol using a slightly different basis set (see ref 8a, Both estimates are lower than the calculated value of 38.4 kJ/mol for the strength of the C pMn(CO) 2-(mesitylene) bond
    • 2-(mesitylene) bond.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.