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Educational Applications of Infrared and Raman Spectroscopy: A Comparison of Experiment and Theory
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Abstract
Advances in Raman spectroscopy and computer technology facilitate the introduction of current spectroscopic and molecular modeling methods at the undergraduate level. This study compares experimental infrared (IR) and Raman spectra of selected molecules to calculated spectra using semiempirical and ab initio methods. These illustrate the complimentary nature of IR and Raman spectroscopies as well as the limitation and successes of computational methods in predicting molecular vibrational frequencies and intensities. Particular examples used to illustrate these principles include comparisons of cis- and trans-1,2-dichloroethene as well as methanol and d1-methanol. The former comparison illustrates symmetry selection rules, and the latter demonstrates the use of isotopic substitution in the assignment of vibrational spectra.
Keywords (Audience):
Second-Year UndergraduateKeywords (Domain):
Physical ChemistryKeywords (Subject):
Computational ChemistryCiting Articles
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This article has been cited by 7 ACS Journal articles (5 most recent appear below).
Infrared and Raman Spectroscopy: A Discovery-Based Activity for the General Chemistry Curriculum
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Karen L. Borgsmiller, Dylan J. O’Connell, Kathryn M. Klauenberg, Peter M. Wilson, and Christopher J. StrombergJournal of Chemical Education2012 Article ASAPA discovery-based method is described for incorporating the concepts of IR and Raman spectroscopy into the general chemistry curriculum. Students use three sets of springs to model the properties of single, double, and triple covalent bonds. Then, ...
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Christian Mohr, Claire L. Spencer and Michael HipplerJournal of Chemical Education2010 87 (3), 326-330Inexpensive Raman Spectrometer for Undergraduate and Graduate Experiments and Research
Christian Mohr, Claire L. Spencer and Michael HipplerJournal of Chemical Education2010 87 (3), 326-330We describe the construction and performance of an inexpensive modular Raman spectrometer that has been assembled in the framework of a fourth-year undergraduate project (costs below $5000). The spectrometer is based on a 4 mW 532 nm green laser pointer ...
Raman Spectroscopy in the Organic Chemistry Laboratory: The Formation of N-Carboxy-2-imidazolidone
Rosa E. Rivera-HainajJournal of Chemical Education2009 86 (11), 1319Raman Spectroscopy in the Organic Chemistry Laboratory: The Formation of N-Carboxy-2-imidazolidone
Rosa E. Rivera-HainajJournal of Chemical Education2009 86 (11), 1319The use of Raman spectroscopy in industry and academia has expanded aided by the rapid development of computer technology and instrument availability. Nonetheless, Raman spectroscopy is still underutilized in the undergraduate chemistry curriculum. Herein,...
Quantitative Determination of the Rotameric Energy Differences of 1,2-Dihaloethanes Using Raman Spectroscopy. An Experimental Project for the Physical Chemistry Laboratory
Mark D. Young , Natalia C. Borjemscaia and Brian D. WladkowskiJournal of Chemical Education2005 82 (6), 912Quantitative Determination of the Rotameric Energy Differences of 1,2-Dihaloethanes Using Raman Spectroscopy. An Experimental Project for the Physical Chemistry Laboratory
Mark D. Young , Natalia C. Borjemscaia and Brian D. WladkowskiJournal of Chemical Education2005 82 (6), 912The effects of structure and environment on the rotameric energy difference between gauche and trans conformations of 1,2-disubtitutedethanes are determined quantitatively through the use of Raman spectroscopy. Two 1,2-dihaloethanes (chloro- and bromo-) ...
Instrumental Proficiency Program for Undergraduates
Duane E. Weisshaar , Gary W. Earl , Milton P. Hanson , Arlen E. Viste , R. Roy Kintner and Jetty L. Duffy-MatznerJournal of Chemical Education2005 82 (6), 898Instrumental Proficiency Program for Undergraduates
Duane E. Weisshaar , Gary W. Earl , Milton P. Hanson , Arlen E. Viste , R. Roy Kintner and Jetty L. Duffy-MatznerJournal of Chemical Education2005 82 (6), 898The instrument proficiency program was developed to complement coverage in the traditional curriculum by providing students with additional opportunities to gain in-depth experience with instrumentation and to make better use of departmental instruments ...
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- Received: August 03, 2009
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