Thermochromic products change colors with changes of temperature, making them attractive materials to engage the interest of undergraduate students. Crystal Violet Lactone (CVL) is a commonly used thermochromic material. In this project, theoretical and experimental infrared spectroscopy are used to examine a sipping straw with thermochromic properties to determine whether it may contain CVL. The infra red spectra were obtained with a Nicolet 6700 spectrometer over a wavelength range of 4000�400 cm-1, with a spectral resolution of 4 cm-1.  The spectrum was recorded at room temperature, and the sample was then held against a polyethylene bag with ice cubes for cooling.  The sample was then quickly dried, transferred to the FT-IR, and a second spectrum obtained while the material was still blue. Both target structures were modeled with Density Functional Theory and energy minimized using the B3LYP/6-311++G(d,p) functional.  The calculated spectra were compared to the experimentally determined ones.

Exploration of thermochromic materials using experimental and theoretical infrared spectroscopy

245th National Meeting (2013)

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