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Volumn 48, Issue 17, 2009, Pages 8063-8065

Modeling the direct activation of dihydrogen by a P2C 2 cyclic biradical: formation of a cyclic BiS(P-H λ5-phosphorane)

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EID: 69549111676     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic901072z     Document Type: Article
Times cited : (23)

References (37)
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    • (c) Power, P. P. Chem. Rev. 2003, 103, 789-809.
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  • 26
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    • w=0.262. The positions of the hydrogen atom on phosphorus were refined. CCDC 670462 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via
    • w=0.262. The positions of the hydrogen atom on phosphorus were refined. CCDC 670462 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data request/cif.
  • 27
    • 69549124068 scopus 로고    scopus 로고
    • We considered the possibility of the presence of a minor constituent with a slightly puckered four-membered ring that could account for the structural disorder problems. However, time and conditions could be expected to lead to changing ratios of C,H- and P.H-reduced products that were not observed experimentally. NMR spectroscopic data also consistently indicated only a single product. Hence, we are confident that only the PHPH. product is present in as a single conformation.
    • We considered the possibility of the presence of a minor constituent with a slightly puckered four-membered ring that could account for the structural disorder problems. However, time and conditions could be expected to lead to changing ratios of C,H- and P.H-reduced products that were not observed experimentally. NMR spectroscopic data also consistently indicated only a single product. Hence, we are confident that only the PHPH. product is present in as a single conformation.
  • 30
    • 0038626673 scopus 로고    scopus 로고
    • revision D.0l; Gaussian, Inc.: Wallingford, CT
    • Frisch, M. J.; et al. Gaussian 03, revision D.0l; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03
    • Frisch, M.J.1
  • 33
    • 69549086419 scopus 로고    scopus 로고
    • It should be noted that the DFT-optimized structure of a P. P-reduced isomer showed geometries almost identical with those of the X-ray structure of 3.
    • It should be noted that the DFT-optimized structure of a P. P-reduced isomer showed geometries almost identical with those of the X-ray structure of 3.
  • 34
    • 33751245901 scopus 로고    scopus 로고
    • Nonmetallic capture and release of hydrogen
    • Nonmetallic capture and release of hydrogen: (a) Welch, G. C.; Juan, R. R. S.; Masuda, J. D.; Stephan, D. W. Science 2006, 314, 1124-1126.
    • (2006) Science , vol.314 , pp. 1124-1126
    • Welch, G.C.1    Juan, R.R.S.2    Masuda, J.D.3    Stephan, D.W.4
  • 36
    • 34247543841 scopus 로고    scopus 로고
    • Computational approaches for molecular dihydrogen activation
    • Computational approaches for molecular dihydrogen activation: (a) Frey, G. D.; Lavallo, V.; Donnadieu, B.; Schoeller, W. W.; Bertrand, G. Science 2007, 316, 439-441.
    • (2007) Science , vol.316 , pp. 439-441
    • Frey, G.D.1    Lavallo, V.2    Donnadieu, B.3    Schoeller, W.W.4    Bertrand, G.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.