Teaching spectroscopy through the use of computer simulation.

dc.contributor.author Pfister, Karen en_US
dc.contributor.department Chemistry & Physics en_US
dc.date.accessioned 2014-06-20T17:38:27Z
dc.date.available 2014-06-20T17:38:27Z
dc.date.issued 1991 en_US
dc.description Major Professor: Roy W. Clark. en_US
dc.description.abstract Spectral analysis of hydrocarbons is an important part of teaching organic chemistry. This field has depended heavily upon infrared spectroscopy (IR) and proton nuclear magnetic resonance spectroscopy ({dollar}\sp1{dollar}H NMR) with some emphasis placed on mass spectroscopy (mass spec) and carbon-13 nuclear magnetic resonance spectroscopy ({dollar}\sp{lcub}13{rcub}{dollar}C NMR). The main use of these concepts, while briefly covered during lecture, is in the identification of unknowns in qualitative organic laboratory sessions. The combination of "wet" qualitative chemical analysis and spectroscopic analysis of a compound makes positive identification of an unknown possible. en_US
dc.description.abstract While some large universities have teaching laboratories equipped with an IR and an {dollar}\sp1{dollar}H NMR spectrometer, many schools do not have these facilities. Paul Schatz of the University of Wisconsin recognized this problem and designed a software package for computers which simulates two of the most common spectrometers; the Perkin Elmer 1310 IR and the Varian EM 360 NMR. en_US
dc.description.abstract The primary purpose of this project was to design a workbook which includes an introduction to the spectroscopic methods, and contains appropriate instructions for using the Paul Schatz simulators. The workbook is structured primarily around proton NMR and IR simulators and written predominantly for institutions that do not have instrumentation available to organic students. en_US
dc.description.abstract In addition to covering IR and proton NMR spectroscopy, the workbook also discusses {dollar}\sp{lcub}13{rcub}{dollar}C NMR and mass spectroscopy. Since the NMR simulator is not designed for {dollar}\sp{lcub}13{rcub}{dollar}C NMR and a mass spec simulator does not exist, the second part of this project involved simulating mass and {dollar}\sp{lcub}13{rcub}{dollar}C NMR spectra that complement the IR and proton NMR spectra available with the simulator software packages. The {dollar}\sp{lcub}13{rcub}{dollar}C NMR and mass spec spectra were saved on disks and accompany the workbook. These supplemental data disks should be especially beneficial to the instructor as mass and {dollar}\sp{lcub}13{rcub}{dollar}C NMR spectra are difficult to acquire. en_US
dc.description.abstract After completing the workbook, the student should be able to identify all four types of spectra, and successfully operate the instrument simulators. en_US
dc.description.degree D.A. en_US
dc.identifier.uri http://jewlscholar.mtsu.edu/handle/mtsu/4039
dc.publisher Middle Tennessee State University en_US
dc.subject.lcsh Spectrum analysis Computer-assisted instruction en_US
dc.subject.lcsh Chemistry, Organic en_US
dc.subject.lcsh Education, Higher en_US
dc.subject.lcsh Education, Sciences en_US
dc.thesis.degreegrantor Middle Tennessee State University en_US
dc.thesis.degreelevel Doctoral en_US
dc.title Teaching spectroscopy through the use of computer simulation. en_US
dc.type Dissertation en_US
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