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Volumn 27, Issue 15, 2008, Pages 3736-3742

Mechanism for carbon-oxygen bond-forming reductive elimination from palladium(IV) complexes

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CABLE STAYED BRIDGES; CHEMICAL BONDS; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; FORMING; LEAKAGE (FLUID); LIGANDS; MECHANISMS; OXYGEN; OXYGENATION; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; REACTION RATES;

EID: 50549090818     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om800067u     Document Type: Article
Times cited : (57)

References (66)
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    • Related studies: (a) Chen, X.; Li, J.-J.; Hao, X.-S.; Goodhue, C. E.; Yu, J.-Q. J. Am. Chem. Soc. 2006, 128, 78.
    • Related studies: (a) Chen, X.; Li, J.-J.; Hao, X.-S.; Goodhue, C. E.; Yu, J.-Q. J. Am. Chem. Soc. 2006, 128, 78.
  • 38
    • 0001147716 scopus 로고    scopus 로고
    • C-C reductive elimination from Pd(IV) typically proceeds by mechanism A, with minimal (<5%) contribution from B or C. See: Byers, P. K.; Canty, A. J.; Crespo, M.; Puddephatt, R. J.; Scott, J. D. Organometallics 1988, 7, 1363.
    • C-C reductive elimination from Pd(IV) typically proceeds by mechanism A, with minimal (<5%) contribution from B or C. See: Byers, P. K.; Canty, A. J.; Crespo, M.; Puddephatt, R. J.; Scott, J. D. Organometallics 1988, 7, 1363.
  • 41
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    • 2 into Pd-H. See: Popp, B. V.; Stahl, S. S. J. Am. Chem. Soc. 2007, 129, 4410.
    • 2 into Pd-H. See: Popp, B. V.; Stahl, S. S. J. Am. Chem. Soc. 2007, 129, 4410.
  • 42
    • 50549087256 scopus 로고    scopus 로고
    • For an earlier study on a hypothetical Pd(II)/Pd(IV) cycle of the Heck reaction, see: Sundermann, A.; Uzan, O.; Martin, J. M. L. Chem.Eur. J. 2001, 7, 1703.
    • For an earlier study on a hypothetical Pd(II)/Pd(IV) cycle of the Heck reaction, see: Sundermann, A.; Uzan, O.; Martin, J. M. L. Chem.Eur. J. 2001, 7, 1703.
  • 43
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    • For rare direct reductive elimination from Pt(IV), see: (a) Luedtke, A. T.; Goldberg, K. I. Inorg. Chem. 2007, 46, 8496.
    • For rare direct reductive elimination from Pt(IV), see: (a) Luedtke, A. T.; Goldberg, K. I. Inorg. Chem. 2007, 46, 8496.
  • 47
    • 34247531301 scopus 로고    scopus 로고
    • Some recent theoretical studies on Pd-catalyzed transformations by using the B3LYP method: (a) Watson, M. P.; Overman, L. E.; Bergman, R. G. J. Am. Chem. Soc. 2007, 129, 5031.
    • Some recent theoretical studies on Pd-catalyzed transformations by using the B3LYP method: (a) Watson, M. P.; Overman, L. E.; Bergman, R. G. J. Am. Chem. Soc. 2007, 129, 5031.
  • 55
    • 35548938629 scopus 로고    scopus 로고
    • For related discussion on the effect of geometry reorganization on Pd catalysis, see: a
    • For related discussion on the effect of geometry reorganization on Pd catalysis, see: (a) Legault, C. Y.; Garcia, Y.; Merlic, C. A.; Houk, K. N. J. Am. Chem. Soc. 2007, 129, 12664.
    • (2007) J. Am. Chem. Soc , vol.129 , pp. 12664
    • Legault, C.Y.1    Garcia, Y.2    Merlic, C.A.3    Houk, K.N.4
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    • Frisch, M. J.; Tracks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.04; Gaussian, Inc.: Pittsburgh, PA, 2003.


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