Studies on the Structures, Infrared Spectra and Thermodynamic Properties of N-Fluo, N-Chloro and N-Methylsuccinimide by Using Density Functional Method

Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

Volumn 20, Issue 6, 1999, Pages 921-922

  Gong, Xue Dong ^a   Xiao, He Ming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Density functional theory (DFT); Infrared spectrum; Molecular geometry; Substituted derivative of succinimide; Thermodynamic function

Indexed keywords

EID: 0345876842     PISSN: 02510790     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. Matsuo T.. Kogyo Kagaku Zasshi, 1965, 68(8): 1 422
2. Foster R., Fyfe C. A.. Spectrochim. Acta, 1965, 21: 1 785
3. Worley S. D., Gerson S. H., Bodor N. et al.. J. Chem. Phys., 1978, 63(3): 1 313
4. Gerson S. H., Worley S. D., Bodor N. et al.. J. Electron Spectrosc. Relat. Phenom., 1978, 13(6): 421
5. Woldbaek T., Klaboe P., Christensen D. H.. Acta Chem. Scand. Ser. A., 1976, A30(7): 547
6. Lee C. M., Kumler W. D.. J. Am. Chem. Soc., 1961, 83: 4 586
7. Caswell L. R., Obaleye J. A., Wallace D. R.. J. Org. Chem., 1984, 49(4): 697
8. Matsuo T.. Bull Chem. Soc. Japan., 1964, 37(12): 1 844
9. Parr R. G., Yang W.. Density Functional Theory of Atoms and Molecules, Oxford: Oxford University Press, 1989
10. GONG Xue-Dong, WANG Yian, XIAO He-Ming. Chem. J. Chinese Universities , 1994, 15: 1 817
11. GONG Xue-Dong, XIAO He-Ming, GAO Pin. Chem. J. Chinese Universities , 1997, 18: 1 688
12. Lee C., Yang W., Parr R. G.. Phys. Rev., 1988, B37: 785
13. Becke A. D.. J. Chem. Phys., 1993, 98: 5 648
14. Moller C., Plesset M. S.. Phys. Rev., 1934, 46: 678
15. Hehre W. J., Ditchfield R., Pople J. A.. J. Chem. Phys., 1972, 56(5): 2 257
16. Finley J. W., Stephens P. J., Theochem., 1995, 357: 225
17. Wong M. W.. Chem. Phys. Lett., 1996, 256: 391
18. Schlegel H. B.. J. Comput. Chem., 1982, 3: 214
19. Herzberg G.. Molecular Spectra and Molecular Structure I: Infrared and Raman Spectra of Polyatomic Molecules, Princeton: D. Van Nostrand, 1945: 501
20. Frisch M. J., Trucks G. W., Schlegel H. B. et al.. Gaussian 92/DFT, Revision F. 2, Pittsburgh PA: Gaussian, Inc., 1993
21. ZHEN Zhao-Xu, XIAO He-Ming. Chem. J. Chinese Universities, 1999, 20 (5): 782