Synthesis and DFT study of the spectral behavior of new 4-hydroxycoumarins

International Journal of Quantum Chemistry

Volumn 108, Issue 8, 2008, Pages 1340-1351

  Stanchev, Stancho ^a   Jensen, Frank ^b   Manolov, Ilia ^a  

^a MEDICAL UNIVERSITY OF SOFIA   (Bulgaria)

^b AARHUS UNIVERSITY   (Denmark)

Author keywords

4 hydroxycoumarins; DFT study; IR spectra; Synthesis; UV vis spectra

Indexed keywords

DENSITY FUNCTIONAL THEORY; HERBICIDES; INFRARED RADIATION; QUANTUM CHEMISTRY;

SPECTRAL BEHAVIOR;

SYNTHESIS (CHEMICAL);

EID: 42449105361     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21628     Document Type: Article

References (16)

1. Refouvelet, B.; Guyon, C.; Jacquot, Y.; Girard, C.; Fein, H.; Bevalot, F.; Robert, J.; Heyd, B.; Mention, G.; Richert, L.; Xicluna, A. Eur J Med Chem 2004, 39, 931.
2. Al-Haiza, M.; Mostafa, M.; El-Kady, M. Molecules 2003, 8, 275.
3. Cravotto, G.; Tagliapietra, S.; Cappello, R.; Palmisano, G.; Curini, M.; Boccalini, M. Arch Pharm Chem Life Sci 2006, 339, 129.
4. Halland, N.; Velgaard, T.; Jergensen, K. J Org Chem 2003, 68, 5067.
5. Trivedi, K.; Mudhava Rao, S.; Mistry, S.; Desai, S. J Ind Chem Soc 2001, 78, 579.
6. Khylia, V.; Kovalev, S.; Miroshnichenko, N.; Turov, A. Chem Nat Comp 1998, 34, 32.
7. Dondon, R.; Munoz, A.; Khylia, V.; Ferry-Forgues, S. C R Acad Sci Paris Ser II c 1999, 2, 705.
8. Trendafilova, N.; Bauer, G.; Mihaylov, T. Chem Phys 2004, 302, 95.
9. Szczepaniak, K.; Szczesniak, M.; Person, W. J Phys Chem A 2000, 104, 3852.
10. Saglam, S.; Ozbay, A.; Haman Bayari, S. Proceedings of 6th International Conference of the Balkan Physical Union, Istanbul, Turkey, 22-26 August 2006, American Institute of Physics, Melville, 2007, p 557.
11. Satoh, T.; Tsuji, T.; Matsuda, H.; Sudoh, S. Bull Chem Soc Jpn 2007, 80, 321.
12. Zhu, Y.; Zhou, S.; Kan, Y.; Su, Z. Int J Quantum Chem 2007, 107, 1614.
13. Gaenko, A.; Devarajan, A; Gagliardi, L.; Lindh, R.; Orland, G. Theor Chim Acta 2007, 118, 271.
14. Li, W.; Wang, Y.; Pavel, I.; Yuan, Q.; Ye, Y.; Fu, E.; Luo, M.; Hu, J.; Kiefer, W. J Phys Chem A 2005, 109, 2878.
15. Frisch, M.; Trucks, G.; Schlegel, H.; Scuseria, G.; Robb, M.; Cheeseman, J.; Montgomery, J.; Vreven, T.; Kudin, K.; Burant, J.; Millam, J.; Iyengar, S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G.; 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.; Hratchian, H.; Cross, J.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R.; Yazyev, O.; Austin, A.; Cammi, R.; Pomelli, C.; Ochterski, J.; Ayala, P.; Morokuma, K.; Voth, G.; Salvador, P.; Dannenberg, J. ; Zakrzewski, V.; Dapprich, S.; Daniels, A. D.; Strain, M.; Farkas, O.; Malick, D.; Rabuck, A.; Raghavachari, K.; Foresman, J. B.; Ortiz, J.; Cui, Q.; Baboul, A.; Clifford, S.; Cioslowski, J.; Stefanov, B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R.; Fox, D.; Keith, T.; Al-Laham, M.; Peng, C.; Nanayakkara, A.; Challacombe, M.; Gill, P.; Johnson, B.; Chen, W.; Wong, M.; Gonzalez, C.; Pople, J. Gaussian 03. Program for Quantum Chemistry; Carnegie Mellon University: PA, USA.
16. Stanchev, S.; Momekov, G.; Jensen, F.; Manolov, I. Eur J Med Chem (in press), DOI 10, 1016/j. Ejmech. 2007.05.05.