Conformational instability upon dimerization: Prolinol
| Autor: | Susanne Hesse, Martin A. Suhm, Juhyon J. Lee |
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| Rok vydání: | 2010 |
| Předmět: |
Quantum chemical
Quantitative Biology::Biomolecules 010304 chemical physics Stereochemistry Hydrogen bond Infrared Organic Chemistry 010402 general chemistry 01 natural sciences Instability 0104 chemical sciences Analytical Chemistry Prolinol Inorganic Chemistry chemistry.chemical_compound Monomer chemistry 0103 physical sciences Fourier transform infrared spectroscopy Enantiomer Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 976:397-404 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2010.03.052 |
| Popis: | Prolinol monomers are shown to exist in two stable conformations with internal O–H⋯N hydrogen bonds, leading to distinct OH-stretching bands in the infrared spectrum. Prolinol dimers mostly adopt different monomer conformations. There is experimental and quantum chemical evidence for two particularly stable and spectrally separated homodimers, whereas heterodimers built from enantiomeric monomer units are structurally more diverse and therefore spectrally broader. The underlying types of hydrogen-bonded networks are analyzed. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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