Background Correction in Raman Spectroscopic Determination of Dimethylsulfone,Sulfate,and Bisulfate

Abstract

A study has been made to compare the effectiveness of thirteen methods of spectroscopic background correction in quantitative measurements. These include digital filters, least-squares fitting, and cross-correlation, as well as peak area and height measurements. Simulated data sets with varying S/N and degrees of background curvature were used. The results were compared with the results of corresponding treatments of Raman spectra of dimethyl sulfone, sulfate, and bisulfate. The range of variation of the simulated sets was greater than was possible with the experimental data, but where conditions were comparable, the agreement between them was good. This supports the conclusion that the simulations were valid. Best results were obtained by a least-squares fit with the use of simple polynomials to generate the background correction. Under the conditions employed, limits of detection were about 80 ppm for dimethyl sulfone and sulfate and 420 ppm for bisulfate.

Keywords

Background correction Raman spectroscopy Quantitative analysis Dimethyl sulfone Sulfate Bisulfate

Get full access to this article

View all access options for this article.

References

Penzhorn

R. D.

and Filby

W. G.

, Staub-Reinchalt. Luft 36, 205 (1976).

Feairheller

W. R.

Jr. , and Katon

J. E.

, Spectrochim. Acta 20, 1099 (1964).

Baldwin

S. F.

and Brown

C. W.

, Water Res. 6, 1601 (1972).

Cunningham

K. M.

Goldberg

M. C.

, and Weiner

E. R.

, Anal. Chem. 49, 70 (1977).

Rosen

and Novakov

, Atmospheric Environ. 12, 923 (1978).

Meyer

Ospina

, and Peter

L. B.

, Anal. Chim. Acta 117, 301 (1980).

Walrafen

G. E.

Irish

D. E.

, and Young

T. F.

, J. Chem. Phys. 37, 662 (1962).

Brigham

E. O.

, The Fast Fourier Transform (Prentice-Hall, Englewood Cliffs, New Jersey, 1974), p. 27.

Enke

C. G.

and Nieman

T. A.

, Anal. Chem. 48, 705A (1976).

10.

LaValle

I. H.

, An Introduction to Probability, Decision and Interference (Holt, Rinehart and Winston, New York, 1970), Chap. 13.

11.

Gold

and Rader

C. M.

, Digital Processing of Signals (McGraw-Hill, New York, 1969), Chap. 5.

12.

Spiegel

M. R.

, Statistics (McGraw-Hill, New York, 1961), Chap. 5.

13.

Trombka

J. I.

and Schmadebeck

R. L.

, Spectrum Analysis, Blackburn

J. A.

, Ed. (Marcel Dekker, New York, 1970), Chap. 4.

14.

Brigham

E. O.

, The Fast Fourier Transform (Prentice-Hall, Englewood Cliffs, New Jersey, 1974), Chap. 4.

15.

Butter

W. L.

and Hopkins

D. W.

, Photochem. Photobiol. 12, 451 (1970).

16.

Savitzky

and Golay

M. J. E.

, Anal. Chem. 36, 1627 (1964).

17.

Schamber

F. H.

, Proc. Symposium on X-Ray Fluorescence Analysis of Environmental Samples, Dzubay

, Ed. (Ann Arbor Science Publication, Ann Arbor, Michigan, 1977), pp. 241–257.

18.

Hantowicz

, Nucl. Instrum. Methods 133, 137 (1976).

19.

Mann

C. K.

Goleniewski

J. R.

, and Sismanidis

C. A.

, Appl. Spectrosc. 36, 223 (1982).

20.

Brown

B. W.

and Hollander

, Statistics (Wiley, New York, 1979), p. 265.

21.

Pearson

G. A.

, J. Mag. Resonance 27, 265 (1977).

22.

Hildebrand

F. B.

, Introduction to Numerical Analysis (McGraw-Hill, New York, 1974), 2nd ed., Chap. 7.

23.

Wetherill

G. B.

, Intermediate Statistical Methods (Chapman and Hall, New York, 1974), p. 121.

24.

Vandeginste

B. G. M.

and DeGalan

, Anal. Chem. 47, 2124 (1975).

25.

Brown

B. W.

and Hollander

, Statistics (Wiley, New York, 1977), p. 286.