Vibrations of pyrrole, N-substituted pyrroles, and their cations
| Autor: | Timothy G. Wright, Alexander R. Davies, David J. Kemp |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Materials science
010304 chemical physics Substituent chemistry.chemical_element Hydrogen atom 010402 general chemistry 01 natural sciences Nitrogen Atomic and Molecular Physics and Optics 0104 chemical sciences Vibration chemistry.chemical_compound chemistry 0103 physical sciences Physical chemistry Physical and Theoretical Chemistry Mixing (physics) Spectroscopy Pyrrole |
| ISSN: | 0022-2852 |
| Popis: | The vibrations of pyrrole, N-deuteropyrrole, N-fluoropyrrole, N-aminopyrrole and N-methylpyrrole are studied. The evolution of the vibrational wavenumbers of pyrrole is examined, as the mass of the nitrogen-bonded hydrogen atom is artificially increased. It is found that some vibrations are very sensitive to the mass of the substituent bonded to the nitrogen, and this can be viewed as vibrations mixing as that mass increases; however, these mixings stablilize by the time a mass of 14 mu is reached. A consistent numbering scheme for the ring-localized vibrations of N-substituted pyrroles is then put forward. A discussion of the vibrations of the cations of pyrrole and N-substituted pyrroles is then presented. Calculated vibrational wavenumbers are compared to experimental ones for pyrrole, N-deuteropyrrole and N-methylpyrrole, as well as the pyrrole cation. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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