Millimetre-wave spectra and internal rotation of 2-iminopropanenitrile isomers
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F22%3A43924436" target="_blank" >RIV/60461373:22340/22:43924436 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Millimetre-wave spectra and internal rotation of 2-iminopropanenitrile isomers
Original language description
Millimetre-wave spectrum of 2-iminopropanenitrile (IPN) was measured using the Prague semiconductor absorption spectrometer1 in selected frequency regions between 128 and 329 GHz. Due to the presence of the –CH3 group, the molecule features a large amplitude motion, i.e. A-E splittings arise from the hindered methyl-top internal rotation. The newly measured rotational transitions of the most stable Z-isomer in its ground vibrational state were combined with the data from Groner et al.2, and the A- and E- torsional species were analysed using the ERHAM and XIAM programs. The refined set of molecular constants including the three-fold barrier to internal rotation V3 = 572.59(14) cm-1 were obtained. Additionally, rotational transitions in the three lowest-lying excited vibrational states ν21 = 1, ν14 = 1, and ν20 = 1of the Z-isomer were measured and assigned. Moreover, the rotational spectrum of the less stable E-isomer of IPN is reported for the first time. The joint analysis performed in the ERHAM and XIAM programs yielded the molecular parameters of this isomer and also the barrier to internal rotation of 508.05(22) cm-1.These new millimetre-wave data will support future astronomical searches for IPN in the interstellar medium.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
<a href="/en/project/8J21FR006" target="_blank" >8J21FR006: Synthesis and millimeter wave spectroscopy of organic compounds, candidates for the interstellar medium</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů