Infrared study of the acidic and basic forms of betaxolol

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 64, Issue 2, 2006, Pages 279-286

  Canotilho, João ^b   Esteves de Castro, R A ^b   Helena, M ^a   Teixeira, S F ^a   P Leitão, M Luísa ^a   Redinha, J Simões ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

Ab initio calculations; Betaxolol; H bonds; IR spectroscopy

Indexed keywords

CONCENTRATION (PROCESS); HYDROCHLORIC ACID; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; OPTIMIZATION; SOLID STATE DEVICE STRUCTURES; X RAY DIFFRACTION;

AB INITIO CALCULATIONS; BETAXOLOL; COMPUTATIONAL CALCULATIONS; MOLECULAR CONFORMATIONS;

ALCOHOLS;

BETAXOLOL; CARBON TETRACHLORIDE; SOLVENT;

ARTICLE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; PH; VIBRATION;

BETAXOLOL; CARBON TETRACHLORIDE; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; MOLECULAR CONFORMATION; SOLVENTS; SPECTROPHOTOMETRY, INFRARED; VIBRATION;

EID: 33646187307     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.07.021     Document Type: Article

References (18)

1. Caron G., Gaillard P., Carrupt P.A., and Testa B. Helv. Chim. Acta 80 (1997) 449
2. Amidon G.L., Lennernäs H., Shah V.P., and Crison J.R. Pharm. Res. 12 (1995) 413
3. Waterbeemed H.V. Eur. J. Pharm. Sci. 7 (1998) 1
4. Work carried out in this Research Center to be published elsewhere
5. Mairesse P.G., Boivin J.C., and Thomas D.J. Acta Cryst. C40 (1984) 1432
6. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (1999), Oxford University Press, Inc., New York (Chapter 1)
7. Steiner T. Chem. Commun. 8 (1997) 727
8. Desiraju G.R., and Steiner T. The Weak Hydrogen Bond in Structural Chemistry and Biology (1999), Oxford University Press Inc., New York (Chapter 3)
9. Brammer L., Burton E.A., and Sherwood P. Cryst. Growth Des. 1 (2001) 727
10. Steiner T. Acta Cryst. B54 (1998) 456
11. Mascal M.J. J. Chem. Soc. Perkin Trans. 2 (1997) 1999
12. Zaagsma J. J. Med. Chem. 22 (1979) 441
13. Clementi E. J. Chem. Phys. 46 (1967) 3851
14. Corongin G., Estrin D., Murgia G., Paglieri L., Pisani L., Valli G.S., Watts J.D., and Clementi E. Int. J. Quantum Chem. 59 (1996) 119
15. Legon A.C. Chem. Soc. Rev. 3 (1993) 153
16. 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., Daniels K.N., 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., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., 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., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., 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 (1998), Gaussian, Inc., Pittsburgh, PA
17. Abramov Y.A., Volkov A., Wu G., and Coppens P. J. Phys. Chem. B 104 (2000) 2183
18. Data obtained by the authors to be published elsewhere