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Vibrations of pyrrole, N-substituted pyrroles, and their cations
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2021-01-03 , DOI: 10.1016/j.jms.2020.111410
Alexander R. Davies , David J. Kemp , Timothy G. Wright

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.



中文翻译:

吡咯,N-取代吡咯及其阳离子的振动

吡咯的振动,Ñ -deuteropyrrole,Ñ -fluoropyrrole,Ñ -aminopyrrole和Ñ -methylpyrrole进行了研究。随着与氮原子键合的氢原子质量的人工增加,研究了吡咯振动波数的演变。发现一些振动对与氮原子键合的取代基的质量非常敏感,这可以看作是随着质量的增加而混合的振动。但是,这些混合在达到14 m u的质量时就稳定了。然后提出了N-取代吡咯的环局部振动的一致编号方案。吡咯和吡咯阳离子振动的讨论。然后提供N-取代的吡咯。将计算出的振动波数与吡咯,N-氘代吡咯和N-甲基吡咯以及吡咯阳离子的振动波数进行比较。

更新日期:2021-01-20
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