CONTINUING RESEARCH INTO THE OVERTIONE SPECTRA OF TRIMETHYL AMINE

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2000

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Ohio State University

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Abstract

The CH bonds in trimethylamine that lie trans to the nitrogen lone pair are known to be much longer than the gauche CH. This is the most extreme known example of the trans lone pair effect, depicted by frontier molecular orbital theory as a delocalization of the lone pair electrons into the anti-bonding orbitals of the trans CH bonds. The spectrum of trimethylamine has been the subject of much study over years, ranging from the fundamental infra-red of trimethyl amine and selectively decterated derivatives to the overtone spectra of trimethylamine. We have collected the overtone spectra (1st -5th) of some deuterated derivatives in order to improve the assignment of the overtone peaks. A harmonically coupled anharmonic oscillator local mode mathematical model has been used to predict the intensity of the absorptions in the overtone regions.

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Author Institution: Department of Chemistry, University of Manitoba; Department of Chemistry, University of Otago

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