2010 Student Research Conference:
23rd Annual Student Research Conference

Identification of Normal Modes Contributing to Vibrational Circular Dichroism in the C-H Stretching Region for Substituted Bicyclo[2.2.1]heptan-2-ones
Henry S. Dust
Dr. Vaughan M. Pultz, Faculty Mentor

Camphor-like compounds have previously been studied using vibrational circular dichroism spectrometry, but the C-H stretching region has been somewhat neglected in recent years. The normal modes of vibration corresponding to the quite prominent peaks in this region were investigated through density functional theory calculations at the B3LYP/6-31G(d,p) level and compared with VCD spectra taken from the molecules. Results can give an understanding of the source of prominent peaks in the spectra of these molecules, and serve as diagnostic tools for this class of molecules.

Keywords: computational, physical chemistry, density functional theory, spectrometry, VCD

Topic(s):Chemistry

Presentation Type: Oral Paper

Session: 52-3
Location: MG 1098
Time: 3:15

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