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Visible Spectra Conjugated Dyes: Integrating Quantum Chemical Concepts with Experimental Data

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George M. Shalhoub

Department of Chemistry and Biochemistry, La Salle University, Philadelphia, PA 19141

J. Chem. Educ., 1997, 74 (11), p 1317

DOI: 10.1021/ed074p1317

Publication Date (Web): November 1, 1997

Section:

History, Education, and Documentation

Abstract

The visible spectra of the conjugated dyes pinacyanol chloride, 1-1'-diethyl-2,2'-cyanine iodide, and 1-1'-diethyl-2,2'-dicarbocyanine iodide are measured. Molar absorptivities and integrated absorption coefficients are then determined by deconvolution of the spectra. The absorption coefficients are used to calculate Einstein coefficients, oscillator strengths, and transition moment integrals of the dyes. Theoretical values for the Einstein coefficients, oscillator strengths, and transition moment integrals are predicted using the one - dimensional box model. Comparisons between theoretical and experimental values are made and the model is parameterized to improve agreement.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Subject):

UV-Vis Spectroscopy

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