Substituent effects on the hydrogen bonding between 4-substituted phenols and HF, H2O, NH3

Chinese Journal of Chemistry

Volumn 21, Issue 11, 2003, Pages 1433-1439

  Cheng, Yu Hui ^a   Fu, Yao ^a   Liu, Lei ^a   Guo, Qing Xiang ^a,b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b LANZHOU UNIVERSITY   (China)

Author keywords

Density function theory; Hydrogen bonding; Non covalent interaction; Substituent effect

Indexed keywords

EID: 1842677078     PISSN: 1001604X     EISSN: None     Source Type: Journal    
DOI: 10.1002/cjoc.20030211108     Document Type: Article

References (17)

1. Hansch, C.; Leo, A.; Taft, R. W. Chem. Rev. 1991, 91, 165.
2. Carles, S.; Lecomte, F.; Scherman, J. P.; Desfrancois, C. J. Phys. Chem. A 2000, 104, 10662.
3. Guo, Q. X.; Liu, L.; Cai, W. S.; Jiang, Y.; Liu, Y. C. Chem. Phys. Lett. 1998, 290, 514.
4. Zhang, H. M.; Liu, L.; Guo, Q. X.; Liu, Y. C. Chem. Res. Chin. Univ. 1999, 15, 17.
5. Liu, L.; Guo, Q. X. J. Chem. Inf. Comput. Sci. 1999, 39, 133.
6. Zhang, K. C.; Liu, L.; Mu, T. W.; Guo, Q. X. Chin. Chem. Lett. 2000, 11, 985.
7. Zhang, K. C.; Liu, L.; Mu, T. W.; Guo, Q. X. Chem. Phys. Lett. 2001, 333, 195.
8. Liu, L.; Guo, Q. X. J. Phys. Chem. B 1999, 103, 3461.
9. Chen, R.; Zhang, K. C.; Liu, L.; Li, X. S.; Guo, Q. X. Chem. Phys. Lett. 2001, 338, 61.
10. Fang, Y.; Liu, L.; Guo, Q. X. Chem. Res. Chin. Univ. 2002, 18, 348.
11. Fang, Y.; Liu, L.; Feng, Y.; Li, X. S.; Guo, Q. X. J. Phys. Chem. A 2002, 106, 4669.
12. Fan, J. M.; Liu, L.; Guo, Q. X. Chem. Phys. Lett. 2002, 365, 464.
13. Gaussian 98, Revision A. 7, Gaussian, Inc., Pittsburgh, PA, 1998.
14. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
15. Ratajcza, H.; Oswal, S. L. J. Phys. Chem. 1972, 76, 3000.
16. Dunitz, J. D.; Taylor, R. Chem.-Eur. J. 1997, 3, 89.
17. Xantheas, S. S. J. Chem. Phys. 1996, 104, 8821.