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Volumn 342, Issue 6156, 2013, Pages 351-354

Direct spectroscopic characterization of a transitory dirhodium donor-acceptor carbene complex

Author keywords

[No Author keywords available]

Indexed keywords

CARBENE; CARBENOID; CHLOROFORM;

EID: 84885838447     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1243200     Document Type: Article
Times cited : (165)

References (39)
  • 21
    • 70350233362 scopus 로고    scopus 로고
    • Q.-H. Deng et al., Chemistry 15, 10707-10712 (2009).
    • (2009) Chemistry , vol.15 , pp. 10707-10712
    • Deng, Q.-H.1
  • 30
    • 84885867505 scopus 로고    scopus 로고
    • note
    • In the final model with 4.5 O or C scatters per Rh, we achieve an F factor of 24.7%. This degrades to 25.2% when the coordination number (CN) is decreased to four scatters per Rh. Because of parameter correlation, the Debye-Waller (DW) value for the Rh-O or Rh-C path decreases from 0.00238 to 0.00194. These DW values are physically reasonable. Thus, the algorithm recognizes residual scattering amplitude when the CN is decreased, but even converging to a lower DW achieves the significantly poorer fit to the data. The CN can be increased to five, but the F factor does not improve; it remains at 24.7%. Here, the DW value for the Rh-O or Rh-C path increases to 0.00276. CN can be raised to six, but this degrades the F factor to 25.6% with a DW value of 0.00354. It should be noted that the DW value for a CN of 1 with four Rh-O paths (0.00224) is nearly identical to that for 3 with 4.5 Rh-O or Rh-C paths (0.00238). The weighted average for this value favors Rh-O, for which the disorder should not vary substantially. In short, to converge to the lowest F factor, the data require additional amplitude at a distance of ∼2.04 Å. This amplitude is best modeled by an increased CN.
  • 38
    • 84885861565 scopus 로고    scopus 로고
    • A more complete set of substrates for catalytic reactions is given in table S2
    • A more complete set of substrates for catalytic reactions is given in table S2.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.