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Re-examination of the π-Bond Energies in Doubly-Bonded Species: A Theoretical Study

  • Published : 2010.01.20

Abstract

Keywords

References

  1. Walsh, R. The Chemistry of Organic Silicon Compounds; Wiley: New York, 1989.
  2. Walsh, R. Acc. Chem. Res. 1981, 14, 246. https://doi.org/10.1021/ar00068a004
  3. Walsh, R. J. Chem. Soc. Faraday Trans. I 1983, 79, 2233. https://doi.org/10.1039/f19837902233
  4. Walsh, R. Pure Appl. Chem. 1987, 59, 69. https://doi.org/10.1351/pac198759010069
  5. Walsh, R. Organometallics 1989, 8, 1973. https://doi.org/10.1021/om00110a021
  6. Grev, R. S.; Schaefer III, H. F.; Baines, K. J. Am. Chem. Soc. 1990, 112, 9458. https://doi.org/10.1021/ja00182a003
  7. Grev, R. S. In Advances in Organometallic Chemistry; Stone, F., Gordon, A., Eds.; Academic Press: London, 1991; Vol. 33, p 125.
  8. Wu, C. J.; Carter, E. A. J. Phys. Chem. 1991, 95, 8352. https://doi.org/10.1021/j100174a058
  9. Benson, S. W. Thermochemical Kinetics; John Wiley and Sons: New York, 1976.
  10. Pople, J. A.; Luke, B. T.; Frisch, M. J.; Binkley, J. S. J. Phys. Chem. 1985, 89, 2198. https://doi.org/10.1021/j100257a013
  11. Wiberg, K. B.; Nakaji, D. J. Am. Chem. Soc. 1993, 115, 10658. https://doi.org/10.1021/ja00076a026
  12. Schmidt, M. W.; Truong, P. N.; Gordon, M. S. J. Am. Chem. Soc. 1987, 109, 5217. https://doi.org/10.1021/ja00251a029
  13. Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968. https://doi.org/10.1063/1.453520
  14. Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1989, 90, 4635. https://doi.org/10.1063/1.456607
  15. Raghavachari, K.; Trucks, G. W. J. Chem. Phys. 1989, 91, 1062. https://doi.org/10.1063/1.457230
  16. Raghavachari, K.; Trucks, G. W. J. Chem. Phys. 1989, 91, 2457. https://doi.org/10.1063/1.457005
  17. Paldus, J.; Ciiek, J.; Jeziorski, B. J. Chem. Phys. 1989, 90, 4356. https://doi.org/10.1063/1.456647
  18. Bartlett, R. J. In Modern Electronic Structure Theory, Yarkony, D. R., Ed.;World Scientific Publishing Co. Ltd.: Singapore, 1995; p 1047.
  19. Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221. https://doi.org/10.1063/1.460205
  20. Pople, J. A.; Frisch, M. J.; Luke, B. T.; Binkley, J. S. Int. J. Quantum Chem. 1983, S17, 307.
  21. Pop1e, J. A.; Luke, B. T.; Frisch, M. J.; Binkley, J. S. J. Phys. Chem. 1985, 89, 2198. https://doi.org/10.1021/j100257a013
  22. Frisch, M. J.; Trucks, 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 B03. Gaussian, Inc., Pittsburgh PA, 2003.

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