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Volumn , Issue 17, 2000, Pages 2939-2951

Syntheses and reactions of some cluster complexes containing C4 ligands with iron, ruthenium and cobalt carbonyls

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EID: 0003103880     PISSN: 1470479X     EISSN: None     Source Type: Journal    
DOI: 10.1039/b002406f     Document Type: Article
Times cited : (36)

References (58)
  • 32
    • 5244284889 scopus 로고
    • and references therein.
    • M. I. Bruce, Client. Rev., 1991, 91, 197 and references therein.
    • (1991) Client. Rev. , vol.91 , pp. 197
    • Bruce, M.I.1
  • 34
    • 33746938126 scopus 로고    scopus 로고
    • 24 Model 9 was optimized with the aid of DF calculations under the C2h symmetry constraint in order to reduce computational effort. The following distances (A) and bond angles (°) were obtained: Ru(l)-Ru(2-3) 2.794; Ru(2)-Ru(3) 2.750; Ru(l)-C(l) 1.993; Ru(2, 3)-C(l) 2.220; Ru(2, 3)-C(2) 2.245; C(1)-C(2) 1.314; C(2)-C(3) 1.374; Ru-C(O) (av.) 1.913; C-O (av.) 1.178; C(i)-C(2)-C(3) 152.5. A HOMO/LUMO gap of 2.47 eV was computed.
    • 24 Model 9 was optimized with the aid of DF calculations under the C2h symmetry constraint in order to reduce computational effort. The following distances (A) and bond angles (°) were obtained: Ru(l)-Ru(2-3) 2.794; Ru(2)-Ru(3) 2.750; Ru(l)-C(l) 1.993; Ru(2, 3)-C(l) 2.220; Ru(2, 3)-C(2) 2.245; C(1)-C(2) 1.314; C(2)-C(3) 1.374; Ru-C(O) (av.) 1.913; C-O (av.) 1.178; C(i)-C(2)-C(3) 152.5. A HOMO/LUMO gap of 2.47 eV was computed.
  • 35
    • 33746963243 scopus 로고    scopus 로고
    • There are different ways to count electrons formally in the tetracarbon moiety. We choose here to consider C4 as a dianionic species rather than a neutral species in order that it agrees with the octet rule. Note that the number of frontier molecular orbitals of C4 which may participate to the M-C bonding is independent of the electron-counting convention.
    • There are different ways to count electrons formally in the tetracarbon moiety. We choose here to consider C4 as a dianionic species rather than a neutral species in order that it agrees with the octet rule. Note that the number of frontier molecular orbitals of C4 which may participate to the M-C bonding is independent of the electron-counting convention.
  • 45
    • 0002831964 scopus 로고
    • eds. E. W. Abel, F. G. A. Stone and G. Wilkinson, Pergamon, Oxford, ch. l.
    • R. D. Adams, in Comprehensive Orgunometatlic Chemistry II, eds. E. W. Abel, F. G. A. Stone and G. Wilkinson, Pergamon, Oxford, 1995, vol. l.ch. l.pp. 1-22.
    • (1995) Comprehensive Orgunometatlic Chemistry II , vol.50 , pp. 1-22
    • Adams, R.D.1
  • 48
    • 0003582985 scopus 로고
    • S. R. Hall, G. S. D. King and J. M. Stewart (Editors), University of Western Australia, Lamb, Perth
    • S. R. Hall, G. S. D. King and J. M. Stewart (Editors), The XTAL 3.4 Users' Manual, University of Western Australia, Lamb, Perth, 1994.
    • (1994) The XTAL 3.4 Users' Manual


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.