Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 288-42-6, is researched, Molecular C3H3NO, about 14N Nuclear quadrupole coupling and methyl internal rotation in the microwave spectrum of 2-methylpyrrole, the main research direction is methylpyrrole nitrogen nuclear quadrupole coupling microwave spectrum.COA of Formula: C3H3NO.
Using two mol. jet Fourier transform microwave spectrometers, the rotational spectrum of 2-methylpyrrole was recorded in the frequency range from 2 to 40 GHz. From the torsional splittings due to the internal rotation of the Me group a barrier height of 279.7183(26) cm-1 was deduced. Because of the 14N nucleus, all lines show a quadrupole hyperfine structure. The microwave spectra were analyzed using the XIAM and BELGI-Cs-hyperfine codes. The XIAM code enabled us to reproduce the whole data set with a root-mean-square deviation of 5.6 kHz while the BELGI-Cs-hyperfine code could provide a better root-mean-square almost by a factor of 2 compared to that of XIAM. The exptl. results were complemented by quantum chem. calculations The values of the Me torsional barrier and the 14N nuclear quadrupole coupling constants are discussed and compared with other Me substituted pyrroles as well as other aromatic five-membered rings.
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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem