Coulombic Basis for Relative Hydrogen-Bonding Basicities and Conformational Energies of Tertiary Amine Oxides and Phosphine Oxides

Structural Chemistry

Volumn 9, Issue 3, 1998, Pages 179-185

  Levy, Jack B ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

Amine oxides; Computed structures; Conformers; Coulombic interactions; Natural charges; Phosphine oxides

Indexed keywords

EID: 0000348153     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1022466913479     Document Type: Article

References (8)

1. Reed, A. E.; Schleyer, P. V. R. J. Am. Chem. Soc. 1990, 112, 1434.
2. Levy, J. B.; Hargittai, I., Molecular geometry: Bridging qualitative modeling and accurate computations. A comparative study of simple nitrogen and phosphorus derivatives. J. Mol. Struct. (Theochem), in press.
3. Borisenko, K. B.; Bock, C. W.; Hargittai, I. J. Phys. Chem. 1994, 98, 1442.
4. Levy, J. B.; Martin, N. H.; Hargittai, I.; Hargittai, M. J. Phys. Chem. A 1998, 102, 274.
5. Levy, J. B.; Hughes, S. V.; Esancy, M. K. Phosphorus, Sulfur, and Silicon 1993, 75, 75.
6. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision E.I. Gaussian, Inc.: Pittsburgh PA, 1995.
7. Reed, A. E.; Weinstock, R. B.; Weinhold, F. J. Chem. Phys. 1985, 83, 735.
8. Levy, J. B. Unpublished results.