2-methylpyrazine was excited to the high vibrational dynamics of the S1 state with 260 nm femtosecond laser light, and the evolution of the excited state was probed with 400 nm light. Because it was unstable, the S1 state decayed via intersystem crossing to the triplet state T1, and it may have decayed to the ground state S0 via internal conversion. S1-to-T1 intersystem crossing was observed by combining time-resolved mass spectrometry and time-resolved photoelectron spectroscopy. The crossover time scale was 23 ps. Rydberg states were identified, and the photoelectron spectral and angular distributions indicated accidental resonances of the S1 and T1 states with the 3s and 3p Rydberg states, respectively, during ionization.
In nature, hydrogen bonding is a common physical occurrence that has a significant impact on the surroundings of anthocyanins. Water molecules will create hydrogen bonds with anthocyanin molecules in various configurations, but the characteristics of these hydrogen bonds will change. Varied hydrogen bonding characteristics have varied impacts on solvent solutions. This research analyzes the differences in hydrogen bonding qualities caused by different methyl structures, as well as the underlying explanations. In this study, the cyanidin (Cy) and peonidin (Pn) structures of anthocyanin molecules were calculated in various stable hydrogen bond configurations using density functional theory B3LYP/6-31G(d,p). combined with information from the Infrared Spectroscopy (IR) spectrum, Atoms In Molecules (AIM) analysis, interaction energy E, and intermolecular hydrogen bond length. Determine the hydrogen bond structure that is the most stable by analyzing it, as well as the effects of replacing the hydroxyl group with a methyl group and any potential underlying causes.
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