ISSN:
1075-4261
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Biology
,
Physics
Notes:
This paper reports on studies of the IR and UV/Vis spectra of propranolol and three of its fluorinated derivatives (namely, trifluoroethyl-propranolol, pentafluoropropyl-propranolol, and heptafluorobutyl-propranolol). The semi-empirical method, AM1 was used to optimize the structures. In the case of IR spectra the calculated and experimental frequency bands for particular assignments of modes overlap significantly. For the UV spectra main peaks of the theoretical spectra are underestimated by about 60 nm on the average from the experimental spectra, perhaps because the estimations were done in different phases, gaseous for the theoretical and ethanol for the experimental. The UV spectra of the four compounds are very similar. © 1996 John Wiley & Sons, Inc.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
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