Molecular structures of 2-arylaminomethyl-1H-benzimidazole: Spectral, electrochemical, DFT and biological studies

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 91, Issue , 2012, Pages 272-284

  Abdel Ghani, Nour T ^a   Mansour, Ahmed M ^a  

^a CAIRO UNIVERSITY   (Egypt)

Author keywords

Antibacterial; Benzimidazole; NBO; PCM; TD DFT

Indexed keywords

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; PULSE CODE MODULATION;

ANTIBACTERIAL; ATOMIC ORBITAL; BENZIMIDAZOLES; BIOLOGICAL STUDIES; DFT CALCULATION; ELECTRONIC TRANSITION; EXPERIMENTAL VALUES; FRONTIER MOLECULAR ORBITALS; GEOMETRICAL STRUCTURE; GOOD CORRELATIONS; HARMONIC VIBRATIONAL FREQUENCIES; NATURAL BONDING ORBITALS; NBO; PHYSICOCHEMICAL TECHNIQUES; POLARIZABLE CONTINUUM MODEL; SOLUTE-SOLVENT INTERACTION; STRUCTURAL STUDIES; TD-DFT;

ORGANIC COMPOUNDS;

EID: 84962349258     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.01.080     Document Type: Article

References (53)

1. W.O. Foye, L.L. Thomas, A. David, and B.I. Williams Principles of Medicinal Chemistry 1995 Waverly Pvt. Ltd. New Delhi
2. N.S. Pawar, D.S. Dalal, S.R. Shimpi, and P.P. Mahulikar Eur. J. Pharm. Sci. 21 2004 115 118
3. Y. He, J. Yang, B. Wu, L. Risen, and E.E. Swayze Bioorg. Med. Chem. Lett. 14 2004 1217 1220
4. Ören, Ö. Temiz,. Yalcin, E. ener, and N. Altanlar Eur. J. Pharm. Sci. 7 1998 153 160
5. T. Hisano, M. Ichikawa, K. Tsumoto, and M. Tasaki Chem. Pharm. Bull. 30 1982 2996 3004
6. N.T. Abdel-Ghani, and A.M. Mansour J. Mol. Struct. 991 2011 108 126
7. N.T. Abdel-Ghani, and A.M. Mansour Inorg. Chim. Acta 373 2011 249 258
8. N.T. Abdel-Ghani, and A.M. Mansour Spectrochim. Acta A 86 2012 605 613
9. N.T. Abdel-Ghani, and A.M. Mansour Spectrochim. Acta A 81 2011 754 763
10. A.D. Becke J. Chem. Phys. 98 1993 5648 5682
11. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1998 785 789
12. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. 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, 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.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, and J.A. Pople GAUSSIAN 03 (Revision A.9) 2003 Gaussian, Inc. Pittsburgh
13. A. Frisch, A.B. Nielson, and A.J. Holder GAUSSVIEW User Manual 2000 Gaussian Inc. Pittsburgh, PA
14. Recent developments and applications of modern density functional theory M.E. Casida, and J.M. Seminario Theoretical and Computational Chemistry vol. 4 1996 Elsevier Amsterdam 391
15. F. Weinhold, and J.E. Carpenter The Structure of Small Molecules and Ions 1988 Plenum New York p. 227
16. R. Ditchfield Chem. Phys. 76 1972 5688 5691
17. M.I. Rahman, W.J. Choudhary, and Thomsen Bioassay Techniques for Drug Development 2001 Harwood Academic Publishers The Netherlands p. 16
18. National Committee for Clinical Laboratory Standards, NCCLS Approval Standard Document M2-A7, Vilanova, PA, 2000.
19. A. Rahman, M.I. Choudhary, and W.J. Thomsen Bioassay Techniques for Drug Development 2001 Harwood Academic Publishers Netherlands p. 16
20. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093 3100
21. J.A. Pople, H.B. Schlegel, R. Krishnan, J.S. Defrees, J.S. Binkley, M.J. Frisch, and R.A. Whiteside Int. J. Quantum Chem.: Quantum Chem. Symp. 15 1981 269 278
22. M.W. Ellzy, J.O. Jensen, H.F. Hameka, J.G. Kay, and D. Zeroka Spectrochim. Acta 57A 2001 2417 2432
23. J.O. Jensen, A. Banerjee, C.N. Merrow, D. Zeroka, and J.M. Lochner J. Mol. Struct.: Theochem. 531 2000 323-231
24. J.O. Jensen, and D. Zeroka J. Mol. Struct.: Theochem. 487 1999 267 274
25. K. Hofmann Imidazole and its Derivatives 1953 Interscience Publishers New York
26. S. Mohan, and N. Sundaraganesan Spectrochim. Acta A 47 1991 1111
27. N. Sundarag-anesan, S. Ilakiamani, P. Subramani, and B. Dominic Joshua Spectrochim. Acta A 67 2007 628 635
28. N.M. Agathabay, M. Tulu, M. Somer, D. Haciu, and A. Yilmaz Struct. Chem. 19 2008 21
29. F.S. Miranda, F.G. Menezes, J. Vicente, A.J. Bortoluzzi, C. Zucco, A. Neves, and N.S. Gonalves J. Mol. Struct. 938 2009 1 9
30. S. Sebastian, and N. Sundaraganesan Spectrochim. Acta A 75 2010 941 952
31. S. Miertus, E. Scrocco, and J. Tomasi Chem. Phys. 55 1981 117
32. R. Cammi, and J. Tomasi J. Comput. Chem. 16 1995 1449
33. V. Chi, A. Pîrnu, M. Vasilescu, R.A. Varga, and O. Oniga J. Mol. Struct. (Theochem.) 851 2008 63 74
34. R.M. Issa, A.A. Hassanein, I.M.R.I. El-Mehasseb, and A. El-Wadoud Spectrochim. Acta Part A 65 2006 206 214
35. M. Krishnamurthy, P. Phaniraj, and S.K. Dogra J. Chem. Soc. Perkin Trans. II 1986 1917 1925 (and the references therein)
36. A.K. Mishra, S.K. Dogra, J. Photochem. 31 (1985) 333-344;
37. Indian J. Phys., Sect. B 54 (1984) 480;
38. Spectrochim. Acta. Part A, 39 (1983) 609-615.
39. R.M. Issa, S.A. El-Daly, and N.A. El-Wakiel Spectrochim. Acta Part A 59 2003 723 728
40. N.T. Abdel-Ghani, and A.M. Mansour Spectrochim. Acta A 81 2011 529 543
41. P.N. Preston Benzimidazoles and Congeneric Tricyclic Compounds, Part I 1981 Wiley New York p. 64
42. N.M. O'Boyle, GAUSSSUM 2.0, (2006), available from < http://gausssum.sf.net >.
43. I.M. Issa, R.M. Issa, M.S. El-Ezaby, and Y.Z. Ahemed Z. Physik. Chem. 242 1969 169
44. I.M. Issa, R.M. Issa, M.S. El-Ezaby, and Y.Z. Ahemed Z. Physik. Chem. 250 1972 161
45. A.K. Mishra, and S.K. Dogra Bull. Chem. Soc. Jpn. 58 1985 3587
46. A.K. Mishra, and S.K. Dogra J. Photochem. 31 1985 333
47. A.K. Mishra, and S.K. Dogra Indian J. Phys. Sect. B 54 1984 480
48. A.K. Mishra, and S.K. Dogra Spectrochim. Acta Part A 39 1983 609
49. C. Ravikumar, I. Hubert Joe, and V.S. Jayakumar Chem. Phys. Lett. 460 2008 552 558
50. I. Fleming Frontier Orbitals and Organic Chemical Reactions 1976 Wiley London
51. G.M. Abou-Elenien, A.A. El-Maghrdy, and H.R. Abdel-Twab Electroanalysis 13 7 2001 587 595
52. M. Al-Anber, B. Milde, W. Alhalasah, H. Lang, and R. Holze Electrochim. Acta 53 2008 6038 6047
53. A.R. Mcutcheon, S.M. Ellis, R.E.W. Hancock, and G.H.N. Towers J. Ethnopharmacol. 37 1992 213 223