Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
권호 표지
DOI QR코드

DOI QR Code

Prediction of Reaction Intermediate(s) of Pentachlorophenol Degradation: An Application of Atomic Charge Distribution Calculations

  • Lee, Byung-Dae (Department of Health, Uiduk University) ;
  • Lee, Min-Joo (Department of Chemistry, Changwon National University) ;
  • Lee, Shun-Hwa (Department of Environmental Engineering, Yeungnam University) ;
  • Lee, Chul-Hee (Department of Environmental Engineering, Yeungnam University) ;
  • Kim, Yeoung-Chan (Department of Cosmetic Science, Joongbu University)
  • Received : 2011.04.15
  • Accepted : 2011.08.02
  • Published : 2011.10.20
Download PDF
⟨ Previous Next ⟩

Abstract

Keywords

References

  1. Lee, M.-J.; Lee, B.-D. Tetrahed. Lett. 2010, 51, 3782. https://doi.org/10.1016/j.tetlet.2010.05.045
  2. Lee, B.-D.; Lee, M.-J. Bull. Korean Chem. Soc. 2009, 30, 787. https://doi.org/10.5012/bkcs.2009.30.4.787
  3. Crosby, D. G.; Beynon, K. I.; Greve, P. A.; Korte, F.; Still, G. G.; Vonk, J. W. Pure Appl. Chem. 1981, 53, 1051. https://doi.org/10.1351/pac198153051051
  4. Zeng, L.; McKinley, J. W. J. Hazard. Matr. 2006, B135, 218.
  5. Song-hu, Y.; Xiao-hua, L. J. Hazard. Matr. 2005, B118, 85.
  6. Benitez, F. J.; Acero, J. L.; Real, F. J.; Garcia, J. Chemosphere 2003, 51, 651. https://doi.org/10.1016/S0045-6535(03)00153-X
  7. Hong, P. K. A.; Zeng, Y. Wat. Res. 2002, 36, 4243. https://doi.org/10.1016/S0043-1354(02)00144-6
  8. Oturan, M. A.; Oturan, N.; Lahitte, C.; Trevin, S. J. Electroanal. Chem. 2001, 507, 96. https://doi.org/10.1016/S0022-0728(01)00369-2
  9. Weavers, L. K.; Malmstadt, N.; Hoffmann, M. R. Environ. Sci. Technol. 2000, 34, 1280. https://doi.org/10.1021/es980795y
  10. Kim, B.; Chun, M.-S.; Shin, S.; Chung, D. S. Bull. Korean Chem. Soc. 1999, 20, 1483.
  11. Breneman, C. M.; Francl, M. M. J. Comp. Chem. 1990, 11, 361. https://doi.org/10.1002/jcc.540110311
  12. Besler, B. H.; Merz, K. M., Jr.; Kollman, P. M. J. Comp. Chem. 1990, 11, 431. https://doi.org/10.1002/jcc.540110404
  13. Singh, U. C.; Kollman, P. A. J. Comp. Chem. 1984, 5, 129. https://doi.org/10.1002/jcc.540050204
  14. CS Chem3D Pro; Cambridgesoft Co.: Cambridge, MA, USA 1999.
  15. 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 B.03, Gaussian, Inc., Pittsburgh PA, 2003.
  16. Becke, A. D. Phys. Rev. A 1988, 38, 3098. https://doi.org/10.1103/PhysRevA.38.3098
  17. Adomo, C.; Barone, V. Chem. Phys. Lett. 1977, 274, 242.

Cited by

  1. Fructose Accelerates UV-C Induced Photochemical Degradation of Pentachlorophenol in Low and High Salinity Water vol.64, pp.21, 2011, https://doi.org/10.1021/acs.jafc.6b01449