Alternative Compounds for the Particle in a Box Experiment

Bruce D. Anderson
Department of Chemistry, Muhlenberg College, 2400 Chew St, Allentown, PA 18104-5586
J. Chem. Educ., 1997, 74 (8), p 985
DOI: 10.1021/ed074p985
Publication Date (Web): August 1, 1997

Abstract

A new series of compounds is proposed to serve as an experimental example of the one-dimensional particle in a box model. The compounds studied are: 1,4-diphenyl-1,3-butadiene, 1,6-diphenyl-1,3,5-hexatriene, and 1,8-diphenyl-1,3,5,7-octatetraene. In all three compounds the distance between the phenyl groups is taken as the length of the one-dimensional box. The lowest energy peak in the ultraviolet absorption spectrum corresponds to the lowest energy transition in the molecule and is used to determine the experimental length of the box. The experimental box length agrees well with the box length determined from average bond length data and the percent errors are similar to those obtained when a series of polymethine dyes are used to represent the box.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Laboratory Instruction

Keywords (Subject):

Quantum Chemistry

Citing Articles

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This article has been cited by 7 ACS Journal articles (5 most recent appear below).

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      Semiconductor quantum dots are at the forefront of materials science chemistry with applications in biological imaging and photovoltaic technologies. We have developed a simple laboratory experiment to measure the quantum-dot size from fluorescence ...

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    Why the Particle-in-a-Box Model Works Well for Cyanine Dyes but Not for Conjugated Polyenes

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    • Why the Particle-in-a-Box Model Works Well for Cyanine Dyes but Not for Conjugated Polyenes

      Jochen Autschbach
      Journal of Chemical Education2007 84 (11), 1840

      We investigate why the particle-in-a-box (PB) model works well for calculating the absorption wavelengths of cyanine dyes and why it does not work for conjugated polyenes. The PB model is immensely useful in the classroom, but owing to its highly ...

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    Schrödinger Equation Solutions That Lead to the Solution for the Hydrogen Atom

    Paul F. Newhouse and K. C. McGill
    Journal of Chemical Education2004 81 (3), 424
    • Schrödinger Equation Solutions That Lead to the Solution for the Hydrogen Atom

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      Particle in the box (PIB) solutions to the Schrödinger equations are not new to physical chemistry. Many have been developed to demonstrate complex quantum mechanical techniques in a simplified form. This article outlines two PIB solutions to the ...

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  • Received: August 03, 2009

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