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Volumn 17, Issue 20, 1998, Pages 4406-4412

Molecular structures of EtTiCl3 and EtTiCl3(dmpe) (dmpe = Me2PCH2CH2PMe2): New insights into β-agostic bonding

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EID: 0001464281     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om980233n     Document Type: Article
Times cited : (46)

References (62)
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    • For a rationalization in terms of nonspherical atomic cores see: (d) Gillespie, R. J.; Bytheway, I.; Tang, T.-H.; Bader, R. F. W. Inorg. Chem. 1996, 35, 3954-3963 (e) Gillespie, R. J.; Robinson, E. A. Angew. Chem., Int. Ed. Engl 1996, 35, 495-514.
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    • For a rationalization in terms of nonspherical atomic cores see: (d) Gillespie, R. J.; Bytheway, I.; Tang, T.-H.; Bader, R. F. W. Inorg. Chem. 1996, 35, 3954-3963 (e) Gillespie, R. J.; Robinson, E. A. Angew. Chem., Int. Ed. Engl 1996, 35, 495-514.
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    • note
    • 3(dmpe) determined at room temperature also displays a disordered dmpe backbone (see ref 5).
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    • note
    • Statistical analysis of the C-C bond distances in transition metal ethyl compounds based on 107 X-ray structures in the Cambridge Structural Database 5.10 (see ref 9a) yields an average of 1.475 Å. A referee pointed out that C-C bond distances might be systematically shortened due to the fact that librational motion is not taken into account by a simple harmonic refinement of atomic displacement parameters. However, new refinements on 2 (high-order reflection data; flexible multipole model) resulted in an even larger C-C bond distance of 1.512(1) Å. This result stresses also the need of high-order reflection data and models that account for the aspherical features of the electron density to gain accurate bond distances from X-ray data (see ref 33).
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    • note
    • 3 are given elsewhere (see ref 12).
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    • 2 with several structure constraints have yielded higher stabilization energies. For further information see: (a) Koga, N.; Obara, S.; Morokuma, K. J. Am. Chem. Soc. 1984, 106, 4625-4626. (b) Munakata, H.; Ebisawa, Y.; Takashima, Y.; Wrinn, M. C.; Scheiner, A. C.; Newsam, J. M. Catal. Today 1995, 23, 403-408.
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    • 2 with several structure constraints have yielded higher stabilization energies. For further information see: (a) Koga, N.; Obara, S.; Morokuma, K. J. Am. Chem. Soc. 1984, 106, 4625-4626. (b) Munakata, H.; Ebisawa, Y.; Takashima, Y.; Wrinn, M. C.; Scheiner, A. C.; Newsam, J. M. Catal. Today 1995, 23, 403-408.
    • (1995) Catal. Today , vol.23 , pp. 403-408
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.