Decomposition of alkyl hydroperoxide by a copper(I) complex: insights from density functional theory

Tetrahedron Letters

Volumn 49, Issue 48, 2008, Pages 6841-6845

  Luo, Yi ^a   Maeda, Satoshi ^a   Ohno, Koichi ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Alkyl hydroperoxide; Copper complex; Decomposition mechanism; Density functional theory

Indexed keywords

COPPER COMPLEX; COPPER DERIVATIVE; CUPROUS DIALKYLDITHIOPHOSPHATE; FORMALDEHYDE; HYDROPEROXIDE; UNCLASSIFIED DRUG; WATER;

ARTICLE; DECOMPOSITION; DENSITY FUNCTIONAL THEORY;

EID: 53649096929     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tetlet.2008.09.065     Document Type: Article

References (29)

1. Burkitt M.J. Arch. Biochem. Biophys. 394 (2001) 117
2. Mugesh G., and Singh H.B. Chem. Soc. Rev. 29 (2000) 347
3. Gelalcha F.G. Chem. Rev. 107 (2007) 3338
4. Boyaci F.G., Takac S., and Özdamar T.H. Rev. Chem. Eng. 16 (2000) 249
5. Blanksby S.J., Ellison G.B., Bierbaum V.M., and Kato S. J. Am. Chem. Soc. 124 (2002) 3196
6. López J.G., Vayner G., Lourderaj U., Addepalli S.V., Kato S., deJong W.A., Windus T.L., and Hase W.L. J. Am. Chem. Soc. 129 (2007) 9976
7. Kato S., Ellison G.B., Bierbaum V.M., and Blanksby S.J. J. Phys. Chem. A (2008) ASAP Article doi: jp800702z
8. Denisov E.T., and Denisov T.G. Handbook of Antioxidants (2000), CRC Press, Boca Raton, FL
9. Lee S.H., Oe T., and Blair L.A. Science 292 (2001) 2083
10. Zabarnick S., and Phelps D.K. Energy Fuels 20 (2006) 488
11. Vabinder M.J., and Bakac A. Inorg. Chem. 46 (2007) 2921
12. Chenier J.H.B., Howard J.A., and Tait J.C. Can. J. Chem. 55 (1977) 1644
13. Sexton M.D. J. Chem. Soc., Perkin Trans. 2 (1984) 1771
14. Mcnab, J. G.; Hakala, N. V.; Mcdermott, J. P. U.S. Patent 2,552,570, 1951.
15. Hunt, W.; Kennedy, S. U.S. Patent 4,664,822-A, 1988.
16. Frosschman, E. EP Patent 2,86,139-A, 1989.
17. Hata, H. EP Patent 475,141, 1994.
18. Luo Y., and Ran X. Special. Petrochem. 6 (1998) 37
19. Bach R.D., and Dmitrenko O. J. Phys. Chem. B 107 (2003) 12851
20. Luo Y., Maeda S., and Ohno K. J. Phys. Chem. A 112 (2008) 5720
21. Luo Y., Maeda S., and Ohno K. J. Phys. Chem. A 111 (2007) 10732
22. Maeda S., and Ohno K. J. Phys. Chem. A 111 (2007) 13168
23. Yang X., Maeda S., and Ohno K. J. Phys. Chem. A 109 (2005) 7319
24. Ohno K., and Maeda S. Chem. Phys. Lett. 384 (2004) 277
25. Maeda S., and Ohno K. J. Phys. Chem. A 109 (2005) 5742
26. Ohno K., and Maeda S. J. Phys. Chem. A 110 (2006) 8933
27. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
28. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
29. 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.; Bakken, V.; 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 D.02; Gaussian: Wallingford, CT, 2004.