Vibrational spectroscopic studies and ab initio calculations of 5-methyl-2-(p-methylaminophenyl)benzoxazole

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 69, Issue 3, 2008, Pages 782-788

  Ambujakshan, K R ^a   Madhavan, V S ^a   Varghese, Hema Tresa ^b   Panicker, C Yohannan ^c   Temiz Arpaci, Ozlem ^d   Tekiner Gulbas, Betul ^d   Yildiz, Ilkay ^d  

^a MES Ponnani College   (India)

^b FATIMA MATA NATIONAL COLLEGE   (India)

^c TKM COLLEGE OF ARTS AND SCIENCE   (India)

^d ANKARA UNIVERSITY   (Turkey)

Author keywords

Benzoxazole; FT IR; HF ab initio calculation

Indexed keywords

FOURIER TRANSFORM INFRARED SPECTROSCOPY; VIBRATIONAL SPECTRA;

AB INITIO CALCULATION; BENZOXAZOLE;

VIBRATIONAL SPECTROSCOPY;

5 METHYL 2 (4 METHYLAMINOPHENYL)BENZOXAZOLE; 5-METHYL-2-(4-METHYLAMINOPHENYL)BENZOXAZOLE; BENZOXAZOLE DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; VIBRATION;

BENZOXAZOLES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION;

EID: 43049137361     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2007.04.034     Document Type: Article

References (51)

1. Skinner W.A., Gualtieve F., Brody G., and Fieldsteel A.H. J. Med. Chem. 14 (1971) 546
2. Cashin C.H., Dunwell D.W., Evans D., Hicks T.A., and Kitchen E.A. J. Med. Chem. 18 (1975) 53
3. Michal K.H., Borck L.D., Hoehn M.M., Jones N.D., and Cheney M.D. J. Antibiot. 37 (1984) 441
4. Dunwell W.D., and Evans D. J. Med. Chem. 20 (1977) 797
5. Wagner G., and Eppner B. Pharmazie 35 (1980) 285
6. Farbenfabriken, A.G. Bayer, Netherlands Patent 6,505,511 (1965).
7. Yalcin I., Sener E., Ozden S., Akin A., and Yildiz S. J. Pharm. Sci. 11 (1986) 257
8. Sener E., Ozden S., Yalcin I., Ozden T., Akin A., and Yildiz S. J. Pharm. Sci. 11 (1986) 190
9. Ozden S., Ozden T., Sener E., Yalcin I., Akin A., and Yildiz S. J. Pharm. Sci. 12 (1987) 39
10. Sener E., Yalcin I., Ozden S., Ozden T., Akin A., and Yildiz S. J. Med. Pharm. 11 (1987) 391
11. Anto P.L., Panicker C.Y., Varghese H.T., Philip D., Temiz-Arpaci O., Tekiner-Gulbas B., and Yildiz I. Spectrochim. Acta A 67 (2007) 744
12. Yalcin I., Sener E., Ozden S., Ozden T., and Akin A. Eur. J. Med. Chem. 25 (1990) 705
13. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., 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.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian 03, Revision C.02 (2004), Gaussian Inc., Wallingford, CT
14. Foresmann J.B. In: Frisch E. (Ed). Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian (1996), Gaussian, Pittsburg, PA
15. Flukiger P., Luthi H.P., Portmann S., and Weber J. MOLEKEL 4.3 Swiss Center for Scientific Computing (2000), Manno, Switzerland
16. Portmann S., and Luthi H.P. Chimia 54 (2000) 766
17. Roeges N.P.G. A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures (1994), Wiley, New York
18. Katrizky A.R., and Jones R.A. J. Chem. Soc. (1959) 3674
19. Perchard J.P., Forel M.T., and Josien M.L. J. Chim. Phys. 61 (1964) 660
20. McKean D.L., and Ellis L.A. J. Mol. Struct. 29 (1975) 81
21. Degen I.A. Appl. Spectrosc. 23 (1969) 239
22. Hill R.D., and Meakins G.D. J. Chem. Soc. (1958) 760
23. Braunholtz J.T., Ebsworth E.A.V., Mann F.G., and Sheppaard N. J. Chem. Soc. (1958) 2780
24. Beer M., Kesseler H.B., and Sutherland G.B.B.M. J. Chem. Phys. 29 (1958) 1097
25. Gates P.N., Steele D., and Pearce R.A.R. J. Chem. Soc., Perkins Trans 2 (1972) 1607
26. Noguchi A., Hanai K., and Okanda T. Spectrochim. Acta 36A (1980) 829
27. Goldstein M., Russell M.A., and Willis H.A. Spectrochim. Acta 25A (1969) 1275
28. Kydd R.A., and Dunham A.R.C. J. Mol. Struct. 98 (1983) 39
29. Cervellati R., Corbelli G., Dal Borgo A., and Lister D.G. J. Mol. Struct. 73 (1981) 31
30. Colthup N.B., Daly L.H., and Wiberly S.E. Introduction to Infrared and Raman Spectroscopy. 3rd ed. (1990), Academic Press, Boston
31. Saxena R., Kaudpal L.D., and Mathur G.N. J. Polym. Sci. A: Polym. Chem. 40 (2002) 3959
32. Silverstein R.M., Bassler G.C., and Morril T.C. Spectrometric Identification of Organic Compounds. 5th ed. (1991), John Wiley and Sons Inc., Singapore
33. Nakamoto K. Infrared and Raman Spectrum of Inorganic and Coordination Compounds. 5th ed. (1997), John Wiley and Sons Inc., New York
34. Klots T.D., and Collier W.B. Spectrochim. Acta 51A (1995) 1291
35. Yang G., Matsuzono S., Koyama E., Tokuhisa H., and Hiratani K. Macromolecules 34 (2001) 6545
36. Sett P., Paul N., Chattopadhyay S., and Mallick P.K. J. Raman Spectrosc. 30 (1999) 277
37. Sett P., Chattopadhyay S., and Mallick P.K. Spectrochim. Acta 56A (2000) 855
38. Sett P., Chattopadhyay S., and Mallick P.K. J. Raman Spectrosc. 31 (2000) 177
39. Volvosek V., Baranovic G., Colombo L., and Durig J.R. J. Raman Spectrosc. 22 (1991) 35
40. Muniz-Miranda M., Castelluci E., Neto N., and Sbrena G. Spectrochim. Acta 39A (1983) 107
41. Green J.H.S. Spectrochim. Acta 24 (1968) 1627
42. Bigotto A., and Pergolese B. J. Raman Spectrosc. 32 (2001) 953
43. Sandhyarani N., Skanth G., Berchmanns S., Yegnaraman V., and Pradeep T. J. Colloid Interf. Sci. 209 (1999) 154
44. Fukukawa K., and Ueda M. Macromolecules 39 (2006) 2100
45. Coates J. In: Meyers R.A. (Ed). Interpretation of Infrared Spectra, A Practical Approach (2000), John Wiley and Sons Ltd., Chichester
46. Collier W.B., and Klots T.D. Spectrochim. Acta 51A (1995) 1255
47. KunYi W., Park C.W., Kim M.S., and Kim K. Bull. Kor. Chem. Soc. 8 (1987) 4
48. Varsanyi G. Assignments of Vibrational Spectra of Seven Hundred Benzene Derivatives (1974), Wiley, New York
49. Lifshitz A., Tamburu C., Suslensky A., and Dubnikova F. J. Phys. Chem. A 110 (2006) 4617
50. Purkayastha P., and Chattopadhyay N. Phys. Chem. Chem. Phys. 2 (2003) 303
51. Sykes P. A Guide Book to Mechanism in Organic Chemistry. 6th ed. (2004), Pearson Education, India