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Volumn 48, Issue 12, 2009, Pages 5504-5511

Paramagnetic effects on the NMR spectra of "diamagnetic" ruthenium (bis-phosphine)(bis-semiquinone) complexes

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[No Author keywords available]

Indexed keywords


EID: 67149083073     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic802302v     Document Type: Article
Times cited : (25)

References (45)
  • 9
    • 67149093059 scopus 로고    scopus 로고
    • Baerends, E. J.; Autschbach, J.; Bcrccs, A.; Bo, C.; Boerrigtcr, P. M.; Cavallo, L.; Chong, D. P.; Deng, L.; Dickson, R. M.; Ellis, D. E.; Fan, L.; Fischer, T. H.; Guerra, C.F.; van Gisbergen, S. J. A.; Groeneveld, J. A.; Gritscnko, O. V.; Gruning, M.; Harris, F. E.; van den Hock, P.; Jacobsen, H.; van Kessel, G.; Kootstra, F.; van Lenthe, E.; Osinga, V.P.; Patchkovskii, S.; Philipsen, P. H. T.; Post, D.; Pye, C. C.; Ravenek, W.; Ros, P.; Schippcr, P. R. T.; Schrcckcnbach, G.; Snijders, J. G.; Sola, M.; Swart, M.; Swerhone, D.; Velde, G. t; Vernooijs, P.; Versluis, L.; Visser, O.; van Wezenheek, E.; Wiesenekker, G.; Wolff, S. K.; Woo, T. K.; Zieglcr, T. Amsterdam Density Functional program (ADF); Vrije Universiteit: Amsterdam, 2004; URL: http://www.scm.com.
    • Baerends, E. J.; Autschbach, J.; Bcrccs, A.; Bo, C.; Boerrigtcr, P. M.; Cavallo, L.; Chong, D. P.; Deng, L.; Dickson, R. M.; Ellis, D. E.; Fan, L.; Fischer, T. H.; Guerra, C.F.; van Gisbergen, S. J. A.; Groeneveld, J. A.; Gritscnko, O. V.; Gruning, M.; Harris, F. E.; van den Hock, P.; Jacobsen, H.; van Kessel, G.; Kootstra, F.; van Lenthe, E.; Osinga, V.P.; Patchkovskii, S.; Philipsen, P. H. T.; Post, D.; Pye, C. C.; Ravenek, W.; Ros, P.; Schippcr, P. R. T.; Schrcckcnbach, G.; Snijders, J. G.; Sola, M.; Swart, M.; Swerhone, D.; Velde, G. t; Vernooijs, P.; Versluis, L.; Visser, O.; van Wezenheek, E.; Wiesenekker, G.; Wolff, S. K.; Woo, T. K.; Zieglcr, T. Amsterdam Density Functional program (ADF); Vrije Universiteit: Amsterdam, 2004; URL: http://www.scm.com.
  • 42
    • 67149093058 scopus 로고    scopus 로고
    • Some previous analyses (ref 27) of NMR shifts due to diamagnetic- paramagnetic equilibria replace the isotropic hyperfine coupling constant a with a/2S. Equation (2) is as used in ref 27(g).
    • Some previous analyses (ref 27) of NMR shifts due to diamagnetic- paramagnetic equilibria replace the isotropic hyperfine coupling constant a with a/2S. Equation (2) is as used in ref 27(g).
  • 43
    • 84868999966 scopus 로고    scopus 로고
    • 2 according to eq 2 gives a much superior fit to the data (see Supporting Information) than docs a fit to inverse temperature.
    • 2 according to eq 2 gives a much superior fit to the data (see Supporting Information) than docs a fit to inverse temperature.
  • 44
    • 67149143052 scopus 로고    scopus 로고
    • Hyperfine coupling constants are also affected by solvent but the variations are not large
    • Hyperfine coupling constants are also affected by solvent but the variations are not large.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.