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Alternative Compounds for the Particle in a Box Experiment
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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.
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Upper-Division UndergraduateKeywords (Domain):
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Quantum ChemistryCiting Articles
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This article has been cited by 7 ACS Journal articles (5 most recent appear below).

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- Received: August 03, 2009
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