A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 2, 2007, Pages 503-508

  Sekerci, M ^a   Atalay, Y ^b   Yakuphanoglu, F ^a   Avci, D ^b   Basoglu A ^b  

^a FIRAT UNIVERSITY   (Turkey)

^b SAKARYA UNIVERSITY   (Turkey)

Author keywords

1 (Thiophen 2 yl methyl) 2 (thiophen 2 yl) 1H benzimidazole; Crystal structure; DFT; HF; IR spectra; Vibrational assignment

Indexed keywords

DENSITY FUNCTIONAL METHOD; HARTREE-FOCK (HF) METHODS; MOLECULAR GEOMETRY; VIBRATIONAL ASSIGNMENT;

DENSITY FUNCTIONAL THEORY; GEOMETRY; MOLECULAR DYNAMICS; OPTIMIZATION; VIBRATIONAL SPECTRA;

AROMATIC COMPOUNDS;

1 (THIOPHEN 2 YLMETHYL) 2 (THIOPHEN 2 YL) 1H BENZIMIDAZOLE; 1-(THIOPHEN-2-YLMETHYL)-2-(THIOPHEN-2-YL)-1H-BENZIMIDAZOLE; BENZIMIDAZOLE DERIVATIVE; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; MATHEMATICAL COMPUTING; VIBRATION;

BENZIMIDAZOLES; MATHEMATICAL COMPUTING; MODELS, CHEMICAL; MOLECULAR STRUCTURE; THIOPHENES; VIBRATION;

EID: 34247474344     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.08.007     Document Type: Article

References (17)

1. Lu J., Yang B., and Bai Y. Synth. Commun. 32 (2002) 3703
2. Tandon V.K., and Kumar M. Tetrahedron Lett. 45 (2004) 4185
3. Tempest P., Ma V., Thomas S., Hua Z., Kelly M.G., and Hulme C. Tetrahedron Lett. 42 (2001) 4959
4. Lee H.I., Jeoung H.E., and Lee C.K. J. Heterocyl. Chem. 33 (1996) 1711
5. Frachey G., Crestini C., Bernini R., Saladino R., and Mincione E. Heterocycles 38 (1994) 2621
6. Ramsden C.A., and Rose H.L. J. Chem. Soc. Perkin Trans. 16 (1997) 2319
7. Abramov Yu.A., Volkov A., and Coppens P. Chem. Phys. Lett. 311 (1999) 81
8. Handy N.C., Maslen P.E., Amons R.D., Audrows J.S., Murroy C.W., and Lawing G. Chem. Phys. Lett. 197 (1992) 506
9. Rauhut G., and Pulay P. J. Phys. Chem. 99 (1995) 3093
10. Lee S.Y., and Boo B.H. Bull. Kor. Chem. Soc. 17 (1996) 760
11. Dege N., Şekerci M., Servi S., Dinçer M., Demirbaş U., and Büyükgüngör O. J. Chin. Chem. Soc. 45 (1998) 555
12. Frish A., Nielsen A.B., and Holder A.J. Gaussview User Manual (2001), Gaussian İnc., Pittsburg
13. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Salvador P., Dannenberg J.J., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson, Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian 98, Revision A.9 (2001), Gaussian Inc., Pittsburgh, PA
14. Lee S.Y. Bull. Kor. Chem. Soc. 19 1 (1998) 93
15. Wheeless C.J.M., Zou X., and Liu R. J. Phys. Chem. 99 (1995) 1248
16. Lee S.Y., and Boo B.H. J. Phys. Chem. 100 (1996) 15073
17. Atalay Y., Avci{dotless} D., Başoǧlu A., and Okur I. J. Mol. Struct. Theochem. 713 (2005) 21s