Stability and molecular dynamics of chloroxylenol (API of antiseptics and drugs) in solid state studied by 35Cl-NQR spectroscopy and DFT calculations

Chemical Physics Letters

Volumn 469, Issue 1-3, 2009, Pages 201-206

  Latosinska J N ^a   Tomczak, M A ^a   Kasprzak, J ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ACTIVATION; CHLORINE; DYNAMICS; HYDROCARBONS; MOLECULAR DYNAMICS; PHENOLS; RESONANCE; SULFUR COMPOUNDS; THERMODYNAMIC STABILITY;

CHLORINE ATOMS; DFT CALCULATIONS; HALF MAXIMUM; METHYL GROUPS; NQR SPECTROSCOPY; RESONANCE FREQUENCIES; RESONANCE LINES; SOLID STATES; TEMPERATURE DEPENDENCES;

ACTIVATION ENERGY;

EID: 58549098558     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.12.076     Document Type: Article

References (31)

1. Bruch M.K. Chloroxylenol an old-new antimicrobial. In: Ascenzi J.M. (Ed). Handbook of Disinfectants and Antiseptics (1996), Marcel Dekker, Inc., New York (NY) 265
2. Holder I.A., Vanderpool L., and Wesselman J. J. Burn Care Rehabil. 6 (1985) 58
3. Uebel R.A., and Wium C.A. S. Afr. Med. J. 92 (2002) 547
4. Digison M.B. Plast. Surg. Nurs. 27 (2007) 185
5. Papageorgiou P.P., and Chu A.C. Clin. Exp. Dermatol. 25 (2000) 16
6. Boyce J.M., and Pittet D. MMWR Recomm. Rep. 51 RR-16 (2002) 1
7. Russell A.D., and Furr J.R. J. Appl. Bacteriol. 43 (1977) 253
8. Lambert R.J. J. Appl. Microbiol. 97 (2004) 699
9. Wilson M., and Mowad C. Dermatitis 18 (2007) 120
10. Berthelot C., and Zirwas M.J. Dermatitis 17 (2006) 156
11. Cox P.J. Acta Cryst. C51 (1995) 361
12. Gunasekaran S., and Rajkumar R. Indian J. Pure Appl. Phys. 41 (2003) 839
13. Sigma Aldrich, .
14. Sigma Aldrich .
15. Bray P.J. J. Chem. Phys. 23 (1955) 570
16. Williams Q., and Weatherly T.L. J. Chem. Phys. 22 (1954) 572
17. M.J. Frisch et al., Gaussian, Inc., Wallingford CT, 2004.
18. Peterson G.E., and Bridenbaugh P.M. J. Chem. Phys. 46 (1967) 2644
19. Gachegov Yu.N., and Soifer G.B. Radiospektroskopiya 9 (1975) 83
20. Kantimati B. Curr. Sci. 38 (1969) 335
21. Semin G.K., Babushkina T.A., and Yakobson G.G. NQR in Chemistry (1975), J. Wiley and Sons, New York, Toronto
22. Bayer H. Z. Phys. 130 (1951) 227
23. Kushida T., Benedek G.B., and Bloembergen N. Phys. Rev. 104 (1956) 1364
24. Brown R.J.C. J. Chem. Phys. 32 (1960) 116
25. Kantimati B. Curr. Sci. 3514 (1966) 359
26. Kasturi A., Venkatacharyula P., and Premaswarup D. J. Mol. Struct. 240 (1990)
27. Chandramani R., Devaraj N., Indumathy A., and Ramakrishna J. J. Magn. Reson. 42 (1981) 41
28. Chandramani R., Basavaraju S.P., and Devaraj N. Austral. J. Chem. 31 (1978) 791
29. Chandramani R. Indian J. Pure Appl. Phys. 16 (1978) 549
30. Woessner D.E., and Gutowsky H.S. J. Chem. Phys. 39 (1963) 440
31. Kyuntsel I.A. Z. Naturforsch. 51a (1996) 713