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Volumn 26, Issue 19, 2007, Pages 4746-4755

Cationic zirconocene and hafnocene aryl complexes

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS; METAL COMPLEXES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POSITIVE IONS; REACTION RATES; ZIRCONIUM COMPOUNDS;

EID: 34748820535     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om700436z     Document Type: Article
Times cited : (14)

References (66)
  • 3
    • 34748860125 scopus 로고    scopus 로고
    • Cationic Organozirconium and Organohafnium Compounds. Guram, A. S.; Jordan, R. F. In Comprehensive Organomelallic Chemistry, 2nd ed.; 1995; 4, pp 589-625.
    • Cationic Organozirconium and Organohafnium Compounds. Guram, A. S.; Jordan, R. F. In Comprehensive Organomelallic Chemistry, 2nd ed.; 1995; Vol. 4, pp 589-625.
  • 18
    • 0034807970 scopus 로고    scopus 로고
    • A similar approach was used to synthesize cationic Al alkyl compounds. Korolev, A. V.; Ihara, E.; Guzei, I. A.; Young, V. G., Jr.; Jordan, R. F. J. Am. Chem. Soc. 2001, 123, 8291.
    • A similar approach was used to synthesize cationic Al alkyl compounds. Korolev, A. V.; Ihara, E.; Guzei, I. A.; Young, V. G., Jr.; Jordan, R. F. J. Am. Chem. Soc. 2001, 123, 8291.
  • 19
    • 34748837060 scopus 로고    scopus 로고
    • +.
    • +.
  • 40
    • 34748869959 scopus 로고    scopus 로고
    • 2 compound.
    • 2 compound.
  • 43
    • 34748863350 scopus 로고    scopus 로고
    • + also contain agostic interactions (see Supporting Information).
    • + also contain agostic interactions (see Supporting Information).
  • 44
    • 0000503224 scopus 로고    scopus 로고
    • The steric crowding in these structures was analyzed using natural steric analysis (NSA, The NSA-determined total steric exchange energy of 2d·CH2Cl2-endo is 2.4 kcal mol-1 lower than that of 2d·CH2Cl2-exo, and the sum of the pairwise steric exchange energies between the C(6)-H(6) bonding orbital and the Cp2Zr orbitais of 2d·CH2Cl 2-endo is 4 kcal mol-1 lower than that for 2d·CH2Cl2-exo. These estimates sugguest that 2d·CH2Cl2-endo is less crowded than 2d·CH2Cl2-exo. See the Supporting Information for details. For NSA see: (a) Badenhoop, J. K, Weinhold, F. J. Chem. Phys. 1997, 107, 5406
    • 2-exo. See the Supporting Information for details. For NSA see: (a) Badenhoop, J. K.; Weinhold, F. J. Chem. Phys. 1997, 107, 5406.
  • 49
    • 34748851693 scopus 로고    scopus 로고
    • HONLMO refers to the highest occupied natural localized molecular orbital. NLMOs are combinations of natural bonding orbitais (NBOs) obtained by analysis of the possible overlap of the NBOs in a molecule
    • HONLMO refers to the highest occupied natural localized molecular orbital. NLMOs are combinations of natural bonding orbitais (NBOs) obtained by analysis of the possible overlap of the NBOs in a molecule.
  • 55
    • 34748919899 scopus 로고    scopus 로고
    • See the Supporting Information for the complete citation
    • Frisch, M. J.; et al. Gaussian 03, Revision C.02. See the Supporting Information for the complete citation.
    • Gaussian 03, Revision , Issue.C.02
    • Frisch, M.J.1
  • 66
    • 0034355284 scopus 로고    scopus 로고
    • An Interactive Molecular Graphics Tool
    • Portmann, S.; Lüthi, H. P. MOLEKEL: An Interactive Molecular Graphics Tool. Chimia 2000, 54, 766-770.
    • (2000) Chimia , vol.54 , pp. 766-770
    • Portmann, S.1    Lüthi, H.2    MOLEKEL, P.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.