Effects of Substituents on the Regioselectivity of Palladium-Catalyzed Allylic Substitutions: A DFT Study

作者: Jevgenij A. Raskatov , Guenter Helmchen

DOI: 10.1002/9783527636402.CH12

关键词:

摘要:

参考文章(48)
Guo-qiang Shi, Xian-hai Huang, Fang-Jiang Zhang, Regioselectivity in the addition of carbon nucleophiles to 1-fluoro and 1,1-difluoro π-allylpalladium complexes Tetrahedron Letters. ,vol. 36, pp. 6305- 6308 ,(1995) , 10.1016/0040-4039(95)01278-P
Uli Kazmaier, Daniel Stolz, Katja Krämer, Franz L. Zumpe, Influences on the Regioselectivity of Palladium‐Catalyzed Allylic Alkylations Chemistry: A European Journal. ,vol. 14, pp. 1322- 1329 ,(2008) , 10.1002/CHEM.200701332
R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Journal of Chemical Physics. ,vol. 72, pp. 650- 654 ,(1980) , 10.1063/1.438955
Louise A. Evans, Natalie Fey, Jeremy N. Harvey, David Hose, Guy C. Lloyd-Jones, Paul Murray, A. Guy Orpen, Robert Osborne, Gareth J. J. Owen-Smith, Mark Purdie, Counterintuitive Kinetics in Tsuji-Trost Allylation: Ion-pair Partitioning and Implications for Asymmetric Catalysis Journal of the American Chemical Society. ,vol. 130, pp. 14471- 14473 ,(2008) , 10.1021/JA806278E
Johan D. Oslob, Björn Åkermark, Paul Helquist, Per-Ola Norrby, Steric Influences on the Selectivity in Palladium-Catalyzed Allylation Organometallics. ,vol. 16, pp. 3015- 3021 ,(1997) , 10.1021/OM9700371
Axel D. Becke, A New Mixing of Hartree-Fock and Local Density-Functional Theories Journal of Chemical Physics. ,vol. 98, pp. 1372- 1377 ,(1993) , 10.1063/1.464304
Roberto Cammi, Benedetta Mennucci, Jacopo Tomasi, Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile Journal of Physical Chemistry A. ,vol. 104, pp. 5631- 5637 ,(2000) , 10.1021/JP000156L