Recommanded Product: 1977-07-7, When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. 1977-07-7, Name is 11-(4-Methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, SMILES is CN1CCN(C2=NC3=CC=CC=C3NC4=CC=CC=C42)CC1, belongs to pyrrolines compound. In a article, author is Roder, Anja, introduce new discover of the category.
Vacuum-Ultraviolet Absorption Spectrum of 3-Methoxyacrylonitrile
The high-resolution absorption spectrum of 3-methoxyacrylonitrile (3MAN) was measured between 5.27 and 12.59 eV using a synchrotron-based Fourier-transform spectrometer. It was related to an absolute absorption cross-section scale. Complementary calculations at the DFT-MRCl/aug-cc-pVTZ level of theory document the vertical transition energies and oscillator strengths toward the first 19 states of both the E and Z geometrical isomers of 3MAN. Comparisons with the experimental absorption spectrum reveal the similarities and differences between 3MAN, a bifunctional molecule, with acrylonitrile and methyl-vinylether, where only one functional group is present. As in acrylonitrile, several broad valence transitions were observed up to the ionization limit. They are likely associated with the extended pi-system induced by the nitrile group but might also involve sigma sigma* transitions close to the ionization limit. As in methylvinylether, Rydberg series converging to the ionization limit are absent. This is attributed to a difference in neutral and cationic geometry due to a 60 degrees rotation of the methyl group.
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Reference:
Pyrroline – Wikipedia,
,1-Pyrroline | C4H7N – PubChem