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Volumn 24, Issue 16, 2005, Pages 3897-3906

1J WSn as a solution state predictor for tungsten-tin solid state bond length in sterically crowded tungstenocene stannyl complexes

Author keywords

[No Author keywords available]

Indexed keywords

BOND DISTANCE; ELECTROPHILICITY; HYBRIDIZATION; ORGANIC SUBSTITUENTS; TUNGSTENOCENE;

EID: 23844476147     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om049006d     Document Type: Article
Times cited : (14)

References (33)
  • 17
    • 0004254735 scopus 로고    scopus 로고
    • Schrodinger, Inc.: Portland, OR
    • Jaguar 3.5; Schrodinger, Inc.: Portland, OR, 1998.
    • (1998) Jaguar 3.5
  • 21
    • 33645361860 scopus 로고    scopus 로고
    • note
    • -6 bohr.
  • 22
    • 33645332251 scopus 로고    scopus 로고
    • note
    • A pruned (99 590) grid was utilized; tungsten defaults to an unpruned grid.
  • 24
    • 33645342907 scopus 로고    scopus 로고
    • note
    • Page 117 of ref 23 provides a graphic description of the bond angles around an unhybridized atom.
  • 28
    • 33645359626 scopus 로고    scopus 로고
    • note
    • This energy difference is based upon the difference in the calculated energies of anti- and gauche-1b (or 2b) at 298.15 K after correction for the fact that there should be no entropic contribution due to differences in the calculated frequency of the hindered rotation around the W-Sn bond; see the explanation of this correction in the Supporting Information for further details.
  • 29
    • 33645351306 scopus 로고    scopus 로고
    • note
    • This simple argument is further complicated should there be a temperature dependence to ΔΔH or ΔΔS; however, since the small energy differences indicated by the calculations are within the expected margin of error, it seems unwise to extend the analysis.
  • 32
    • 77956794309 scopus 로고
    • Webb, G. A., Ed.; Academic: San Diego
    • Mann, B. E. In Annual Reports on NMR Spectroscopy; Webb, G. A., Ed.; Academic: San Diego, 1991; Vol. 23, pp 141-207.
    • (1991) Annual Reports on NMR Spectroscopy , vol.23 , pp. 141-207
    • Mann, B.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.