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Volumn 4, Issue 10, 2008, Pages 1681-1689

Donor-acceptor dissociation energies of group 13-15 donor-acceptor complexes containing fluorinated substituents: Approximate lewis acidities of (F3C)3M vs (F5C6)3M and the effects of phosphine steric bulk

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EID: 58149145581     PISSN: 15499618     EISSN: None     Source Type: Journal    
DOI: 10.1021/ct8001859     Document Type: Article
Times cited : (26)

References (37)
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    • Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Zakrzewski, V. G, Montgomery, J. A, Jr, Stratmann, R. E, Burant, J. C; Dapprich, S, Millam, J. M, Daniels, A. D, Kudin, K. N, Strain, M. C; Farkas, O, Tomasi, J, Barone, V, Cossi, M, Cammi, R, Mennucci, B, Pomelli, C; Adamo, C; Clifford, S, Ochterski, J, Petersson, G. A, Ayala, P. Y, Cui, Q, Morokuma, K, Rega, N, Salvador, P, Dannenberg, J. J, Malick, D. K, Rabuck, A. D, Raghavachari, K; Foresman, J. B, Cioslowski, J, Ortiz, J. V, Baboul, A. G, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Gomperts, R, 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, Andres, J. L, Gonzalez, C, Head-Gordon, M, Replogle, E. S, Pople, J. A. Gaussian 98, Revision A. 11.4; Gaussian, Inc, Pittsburgh, PA, 2002
    • Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C; Adamo, C; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Rega, N.; Salvador, P.; Dannenberg, J. J.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; 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.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision A. 11.4; Gaussian, Inc.: Pittsburgh, PA, 2002.
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    • DA(raw).
    • DA(raw).
  • 19
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    • DAvalues determined computationally, have nonetheless been modeled well by various computational methods. See: Haaland, A
    • DAvalues determined computationally, have nonetheless been modeled well by various computational methods. See: Haaland, A. Angew. Chem., Int. Ed. Engl. 1989, 28, 992-1007.
    • (1989) Angew. Chem., Int. Ed. Engl , vol.28 , pp. 992-1007
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    • (d) Ziegler, T. Chem. Rev 1991, 91, 651-667.
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    • Ziegler, T.1
  • 32
  • 34
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    • The maximum number of F. .H interactions was determined by using models to examine conformations. The values are 12 for R = Me, 18 for R = Et, and 24 for R = i-Pr and t-Bu.
    • The maximum number of F. .H interactions was determined by using models to examine conformations. The values are 12 for R = Me, 18 for R = Et, and 24 for R = i-Pr and t-Bu.


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