Structure and vibrational spectra of N,N-dimethyl-N' (2-chlorobenzoyl) thiourea: Hartree-Fock and density functional theory studies

Asian Journal of Chemistry

Volumn 19, Issue 3, 2007, Pages 1888-1896

  Arslan, Hakan ^a   Emen, Fatih Mehmet ^a   Külcü, Nevzat ^a  

^a MERSIN UNIVERSITY   (Turkey)

Author keywords

Density functional theory; Hartree Fock; Infrared spectrum; Molecular calculations; N,N dimethyl N'(2 chlorobenzoyl)thiourea

Indexed keywords

EID: 33947415305     PISSN: 09707077     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (19)

1. S. Bourne and K.R. Koch, J. Chem. Soc. Dalton Trans., 2071 (1993).
2. F.Z. El Aamrani, A. Kumar, J.L. Cortina and A.M. Sastre, Anal. Chim. Acta, 382, 205 (1999).
3. F.Z. El Aamrani, A. Kumar, L. Beyer, J.L. Cortina and A.M. Sastre, Solv. Extr. Ion Exch., 16, 1389 (1998).
4. E. Anticó, A. Masana, M. Hidalgo, V. Salvado and M. Valiente, Hydrometallurgy, 35, 343 (1994).
5. F.Z. El Aamrani, A. Kumar, L. Beyer, J.L. Cortina and A.M. Sastre, Hydrometallurgy, 50, 315 (1998).
6. R.S. Aygün, M. Merdivan and N. Külcü, Mikrochim. Acta, 127, 233 (1997).
7. N. Ozpozan, T. Ozpozan, H. Arslan, F. Karipcin and N. Külcü, Thermochim. Acta, 336, 97 (1999).
8. N. Ozpozan, H. Arslan, T. Ozpozan, N. Özdes and N. Külcü, Thermochim. Acta, 343, 127 (2000).
9. N. Ozpozan, H. Arslan, T. Ozpozan, M. Merdivan and N. Külcü, J. Therm. Anal., 61, 955 (2000).
10. H. Arslan, N. Külcü and U. Flörke, Transition Met. Chem., 28, 816 (2003).
11. H. Arslan, U. Flörke, N. Külcü and F.M Emen, J. Coord. Chem., 59, 223 (2006).
12. F.M. Emen, H. Arslan, N. Külcü, U. Flörke and N. Oman, Polish J. Chem., 79, 1615 (2005).
13. D. Ugur, H. Arslan and N. Külcü, Russ. J. Coord. Chem., 32, 669 (2006).
14. H. Arslan, M. Külcü and U. Flörke, Spectrochim. Acta A, 64, 1065 (2006).
15. GAUSSIAN 98, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, MC. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y.; Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle and J.A. Pople, Gaussian Inc., Pittsburgh, PA (2003).
16. J.B. Foresman and E. Frisch, in: Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian. Gaussian Pitttsburg, PA (1993).
17. A.P. Scott and L. Radom, J. Phys. Chem., 100, 16502 (1996)
18. P. Fischer, D. Bougeard and B. Schrader, SPSIM Spektren Simulation, Universitat Essen, Essen (1989).
19. H. Arslan and T. Ozpozan, Asian J. Chem., 18, 1815 (2006).