Computational study of medium-sized cumulenones, H2C(n)O (n = 3-7)

Bulletin of the Korean Chemical Society

Volumn 20, Issue 7, 1999, Pages 809-814

  Park, Kyungtae ^a   Lee, Sungyul ^a,b   Lee, Yongsik ^a  

^a Kyung Hee University   (South Korea)

^b Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CUMULENONE; HYDROCARBON; HYDROGEN; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DIPOLE;

EID: 0033587519     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (22)

1. Ross, S. C. J. Mol. Spectrosc. 1988, 132, 48.
2. Burenin, A. V.; Karyakin, E. N.; Krupnov, A. F.; Shapin, S. M. J. Mol. Spectrosc. 1979, 78, 181.
3. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
4. Ziegler, T. Chem. Rev. 1991, 91, 651.
5. Lee, S. J. Phys. Chem. 1996, 100, 13959.
6. Lee, S. Chem. Phys. Lett. 1997, 268, 69.
7. Lee, B.; So, J.; Lee, S. Bull. Korean Chem. Soc. 1996, 17, 767.
8. (a) Lee, S. J. Mol. Struct. Theochem 1998, 427, 267.
9. (b) Kim, K. H.; Lee, B.; Lee, S. Bull. Korean Chem. Soc. 1998, 19, 553.
10. (a) Lee, B.; Lee, S. Chem. Phys. Lett. 1998, 286, 171.
11. (b) Kim, K.-H.; Lee, B.; Lee, S. Chem. Phys. Lett. 1998, 297, 65.
12. Ziegler, T. Can. J. Chem. 1995, 73, 743.
13. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; 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, Inc.: Pittsburgh, PA, 1995.
14. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
15. Lee, C.; Yang, W.; Parr, R. P. Phys. Rev. B 1988, 37, 785.
16. Brown, R. D.; Champion, R.; Elmes, P. S.; Godfrey, P. D. J. Am. Chem. Soc. 1985, 107, 4109.
17. Brown, R. D.; Godfrey, P. D.; Champion, R.: McNaughton, D. J. Am. Chem. Soc. 1981, 103, 5711.
18. Brown, R. D.; Godfrey, P. D.; Ball, M. J.; Godfrey, S.; McNaughton, D.; Rodler, M.; Kleibömer, B.; Champion, R. J. Am. Chem. Soc. 1986, 108, 6534.
19. Brown, R. D.; Brown, F. C.; Eastwood, F. W.; Godfrey, P. D.; McNaughton, D. J. Am. Chem. Soc. 1979, 101, 4705.
20. East, A. L. L. J. Chem. Phys. 1998, 108, 3574.
21. Brown, F. C.; Coulston, K. J.; Eastwood, F. W.; Irvine, M. J.; Pullin, D. E. Aust. J. Chem. 1988, 41, 561.
22. Brown, F. C. ; Coulston, K. J.; Eastwood, F. W.; Pullin, D. E.; Staffa, A. C. Aust. J. Chem. 1990, 43, 561.