Torsional isomers in methylated aminoethanols - A jet-FT-IR study

2004 | journal article. A publication of Göttingen

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​Torsional isomers in methylated aminoethanols - A jet-FT-IR study​
Liu, Y. Q.; Rice, C. A. & Suhm, M. A. ​ (2004) 
Canadian Journal of Chemistry82(6) pp. 1006​-1012​.​ DOI: https://doi.org/10.1139/v04-046 

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Authors
Liu, Y. Q.; Rice, Corey A.; Suhm, Martin A. 
Abstract
Jet-FT-IR spectra of aminoethanol (AE), N-methylaminoethanol (MAE), and N,N-dimethylaminoethanol (DMAE) are presented and compared to gas-phase and matrix isolation IR, microwave, and quantum chemical data. The intramolecular O-H...N hydrogen bond gives rise to characteristically shifted O-H stretching bands and torsional difference bands in the monomer spectra. It stabilizes one out of 14 diastereomeric monomer conformations of AE and DMAE and two out of 27 diastereomeric MAE conformations. The latter two correspond to torsional or N-inversional isomers, the interconversion of which is hindered by the intramolecular hydrogen bond. Their energy difference is found to be <1.2 kJ/mol. The intermolecular aggregation patterns of the three aminoethanols are quite distinct and non-monotonic, as suggested by their O-H stretching fingerprints.
Issue Date
2004
Status
published
Publisher
Natl Research Council Canada
Journal
Canadian Journal of Chemistry 
Organization
Institut für Physikalische Chemie 
ISSN
0008-4042
eISSN
1480-3291
Language
English

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