4.5 Article

Particle in a Disk: A Spectroscopic and Computational Laboratory Exercise Studying the Polycyclic Aromatic Hydrocarbon Corannulene

Journal

JOURNAL OF CHEMICAL EDUCATION
Volume 91, Issue 12, Pages 2186-2190

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/ed4005062

Keywords

Upper-Division Undergraduate; Physical Chemistry; Hands-On Learning/Manipulatives; UV-vis Spectroscopy; Raman Spectroscopy; Computational Chemistry; Nanotechnology; Laboratory Instruction

Funding

  1. U.S. National Science Foundation [EPS-0903787, NSF-0955550]
  2. University of Mississippi College of Liberal Arts, Department of Chemistry and Biochemistry, Office of Research and Sponsored Programs
  3. Sally McDonnell Barksdale Honors College
  4. NSF [CHE-1156713]
  5. Office of Science, U.S. Department of Energy [DE-FG02-04ER15514]
  6. U.S. Department of Energy (DOE) [DE-FG02-04ER15514] Funding Source: U.S. Department of Energy (DOE)
  7. Division Of Chemistry
  8. Direct For Mathematical & Physical Scien [0955550] Funding Source: National Science Foundation
  9. EPSCoR
  10. Office Of The Director [0903787] Funding Source: National Science Foundation

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This laboratory exercise introduces undergraduate chemistry majors to the spectroscopic and theoretical study of the polycyclic aromatic hydrocarbon (PAR), corannulene. Students explore the spectroscopic properties of corannulene using UV-vis and Raman vibrational spectroscopies. They compare their experimental results to simulated vibrational spectra and the molecular structure obtained from computational chemistry to other PAHs, including C-60. The delocalized electron in corannulene is also conceptually explored using the particle in a disk model. This laboratory exercise allows students to explore multiple physical chemistry concepts in one, 3 h laboratory exercise centered around one theme.

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