The synthesis, molecular structure, FT-IR and XRD spectroscopic investigation of 4-[(2-{[(2-furylmethyl)imino]methyl}-4-methoxyphenoxy)methyl] benzonitrile: A comparative DFT study

Journal of Molecular Structure

Volumn 991, Issue 1-3, 2011, Pages 12-17

  Alver, Özgür ^a   Hayvali, Zeliha ^b   Güler, Hüseyin ^b   Dal, Hakan ^a   Enyel, Mustafa ^a  

^a ANADOLU UNIVERSITY   (Turkey)

^b ANKARA UNIVERSITY   (Turkey)

Author keywords

Conformational analysis; DFT; Infrared spectra; Schiff base compound; XRD

Indexed keywords

CONFORMATIONAL ANALYSIS; DFT; INFRARED SPECTRA; SCHIFF BASE COMPOUND; XRD;

FUNCTIONAL GROUPS; OPTIMIZATION; QUANTUM CHEMISTRY; QUANTUM THEORY; SPECTROSCOPIC ANALYSIS; SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

EID: 79952620064     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.12.049     Document Type: Article

References (19)

1. S.Y. Yu, S.X. Wang, Q.H. Luo, and L.F. Wang Polyhedron 12 1993 1093
2. S. Rekha, and K.R. Nagasundara Indian J. Chem. A45 2006 2421
3. A.A. Jarrahpour, M. Motamedifar, K. Pakshir, N. Hadi, and M. Zarei Molecules 9 2004 815
4. P.G. Ramappa, and K.B. Somasekharappa Indian J. Chem. A33 1994 66
5. D. Gatteschi, O. Kahn, and J. Miller Molecular Magnetic Materials, Nato ASI Series E198 1991 Kluwer, Dordrecht The Netherlands
6. O.M. Yaghi, G. Li, and H. Li Nature 378 6558 1995 703
7. C.T. Chen, and K.S. Suslick Coord. Chem. Rev. 128 1-2 1993 293
8. M. Jalali-Heravi, A.A. Khandar, and I. Sheikshoaie Spectrochim. Acta, Part A 55 1999 2537
9. L. Juhasz, Z. Dinya, S. Antus, and T.E. Gunda Tetrahedron Lett. 41 2000 2491
10. K. Balci, and S. Akyüz Vib. Spectrosc. 48 2008 215
11. A.P. Scott, and L. Radom J. Phys. Chem. 100 1996 16502
12. J.B. Foresman, and A. Frisch Exploring Chemistry with Electronic Structure Methods second ed. 1996 Gaussian, Inc. Pittsburgh
13. Ö. Alver, C. Parlak, and M. enyel Spectrochim. Acta A 67 2007 793
14. Ö. Alver, C. Parlak, and M. enyel J. Mol. Struct. 923 2009 120
15. A.D. Becke J. Chem. Phys. 98 1993 5648
16. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093
17. J. Baker, A.A. Jarzecki, and P. Pulay J. Phys. Chem. A102 1998 1412
18. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, J.T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03 Revision C.02, Gaussian Inc., Pittsburgh PA, 2003.
19. J.A. Faniran, and H.F. Shurvell Can. J. Chem. 46 1968 2089