Some CNDO calculations and structural spectroscopic studies of paracetamol complexes

Spectroscopy Letters

Volumn 39, Issue 2, 2006, Pages 163-179

  El Shahawy, Anwar S ^a   El Nady, Abu Bakr M ^a   Ahmed, Seddique M ^a   Sayed, Nager Kh ^a  

^a Assiut University   (Egypt)

Author keywords

CNDO; H NMR; IR; Paracetamol; UV

Indexed keywords

EID: 33644841638     PISSN: 00387010     EISSN: 15322289     Source Type: Journal    
DOI: 10.1080/00387010500531183     Document Type: Article

References (26)

1. de Paramo, B. J.; Gancedo, S. Q.; Cuevas, M.; Camo, I. P.; Martin, J. A.; Cosmes, E. L. Paracetamol (acetaminophen) hypersensitivity. Ann. Allergy Asthma Immunol. 2000, 85, 508-511.
2. Vial, T.; Bergeret, A.; Delattre, D.; Descotes, J. Side effect of paracetamol. Lyon Pharm. 1988, 39 (3), 187-189.
3. Wojcicki, J.; Zdzislaw, B.; Barbara, G-S.; Joszef, K.; Pol, K. K. The effect of single dose of ethanol on pharmacokinetics of paracetamol. J. Pharmacol. Pharm. 1978, 30 (6), 749-753.
4. Criado, A.; Cardenas, S.; Gallego, M.; Valcarcel, M. Continuous flow spectrophotometric determination of paracetamol in pharmaceuticals following continuous microwave assisted alkaline hydrolysis. Talanta. 2000, 53 (2), 417-423.
5. Ghafourian, T.; Dearden, J. C. The use of atomic charges and orbital energies as hydrogen-bonding-donor parameters for QSAR studies comparison of MNDO, AM1, PM3 methods. J. Pharm. Pharmacol. 2000, 52 (6), 603-610.
6. Levina, M.; Rubinstein, M. H. Principles and application of ultrasound in pharmaceutical powder compression. J. Pharm. Sci. 2000, 89 (6), 705-723.
7. Medenica, M.; Ivanovic, D.; Malenovic, A. The second-derivative spectrophotometric assay of amueticomponent analgetic mixture. Spectrosc. Lett. 2000, 33 (2), 173-183.
8. Chowdary, K. P.R.; Devala, R. G. A new spectrophotometric method for the determination of paracetamol. East. Pharm. 1997, 40 (476), 151-152.
9. Belokov, V. G.; Sami, A. A.; Solovei, N. V. Spectrophotometric determination of paracetamol in pharmaceutical dosage forms. Farmatsiya (Moscow) 1995, 44 (3), 41-42.
10. Correa, M. A.; Bueno, J. H.F. Thermal stability of paracetamol solution thinlayer chromatography, TLC,-ultraviolet spectrophotometry. Rev. Cienc. Farm. (Sao Paulo) 1994, 15, 123-140.
11. Pospisilova, M.; Svobodova, D.; Fraenkl, M. C. Spectrophotometrical determination of paracetamol in the analgetic-antipyretic preparations. Farm. 1991, 40 (6-7), 206-208.
12. Morelli, B. Spectrophotometric determination of paracetamol in pure form and in tablets. J. Pharm. Biomed. Anal. 1989, 7 (5), 577-584.
13. Saito, S.; Yoshiharu, T.; Nobuo, T.; Akiko, I. Theoretical studies on cis-amide preference in N-methylanilides. J. Org. Chem. 1995, 60, 471.
14. Manea, V. P.; Wilson, K. J.; Cable, J. R. Conformations and relative stabilities of the cis and trans isomers in a series of isolated N-phenylamides. J. Am. Chem. Soc. 1997, 119, 2033-2039.
15. Moriyasu, M.; Kawanishi, K.; Kato, A.; Hashimoto, Y.; Sugiura, M. Kinetic studies of fast equilibrium by means of high-performance liquid chromatography.x. separation of rotamers of acetanilides. Bull. Chem. Soc. Jpn. 1985, 58, 2581-2585.
16. Boldyreva, E. V.; Shakhtshneider, T. P.; Ahsbahs, H.; Uchtmann, H.; Burgina, E. B.; Baltakhinov, V. P. The role of hydrogen bonds in the pressure-induced structural distortion of 4- hydroxyacetanilide crystals. Polish J. Chem. 2002, 76 (9), 1333-1346.
17. Beyer, T.; Price, S. L. The errors in lattice energy minimization studies: sensitivity to experimental variations in the molecular structure of paracetamol. CrystEngConn [online computer file] 2000. www.rsc.org/crystengcomm
18. Wilson, C. C.; Shankland, N.; Florence, A. J.; Frampton, C. S. A new spectrophotometric method for the determination of paracetamol. Physica B (Amsterdam) 1997, 234-236, 84-86.
19. Al-Zoubi, N.; Koundourellis, J. E.; Malamataris, S. Identification and quantitation of orthorhombic and monoclinic paracetamol in powder mixes. J. Pharma. Biomed. Anal. 2002, 29 (3), 459-467.
20. Ferrer, S.; Jimenez, A.; Borras, J. Synthesis and characterization of the acetazolamide complexes of Co(II) and Zn(II). Inorg. Chim. Acta 1987, 129, 103-106.
21. Lobana, T. S.; Gosain, A.; Paul, S. Structural studies of copper(II) complexes with triphenylphosphine oxide. Indian J. Chem. 1997, 36A, 82-83.
22. Issa, R. M.; Abdel-Latif; Abdel-Latif, S. A.; Abdel-Salam, H. A. Synthesis and characterization of new Cu(II) complexes derived from benzilic and mandelic hydrazones. Synth. React. Inorg. Met-Org. Chem. 2001, 31 (1), 95-105.
23. Rajib, Lal De; Keka, Samanta. Some mixed ligand complexes of cobalt(II) with bidentate Schiff bases. Indian J. Chem. 2000, 39A, 1098-1100.
24. Pople, J. A.; Beveridge, D. L. Approximate Molecular Orbital Theory. McGraw-Hill: New York, 1970.
25. Varsanyi, G. Vibrational Spectra of Benzene Derivatives. Academic Press: New York and London, 1969.
26. Colthup, N. B.; Daly, L. H.; Wiberley, S. E. Introduction to Infrared and Raman Spectroscopy. Academic Press: New York and London, 1964.