COA of Formula: C28H26N4O. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2,9-Dimethyl-1,10-phenanthroline hemihydrate, is researched, Molecular C28H26N4O, CAS is 34302-69-7, about Capturing and analyzing the excited-state structure of a Cu(I) phenanthroline complex by time-resolved diffraction and theoretical calculations. Author is Vorontsov, Ivan I.; Graber, Tim; Kovalevsky, Andrey Yu.; Novozhilova, Irina V.; Gembicky, Milan; Chen, Yu-Sheng; Coppens, Philip.
Time-resolved crystallog. and d. functional theory calculations are used to analyze the geometric and electronic changes that occur upon photoexcitation of [Cu(I)(dmp)(dppe)]+ in crystalline [Cu(I)(dmp)(dppe)][PF6] [dmp = 2,9-dimethyl-1,10-phenanthroline; dppe = 1,2-bis(diphenylphosphino)ethane]. In the pump-probe experiment, laser and X-ray pulses are synchronized to capture an image of the instantaneous mol. distortions in the transient triplet state. Parallel theor. calculations, with the Ph groups replaced by Me groups, yield information on the distortion of the isolated cation and the change in electron d. upon excitation. The exptl. distortions are significantly less than the calculated values and are different for the two independent mols. in the asym. unit; these findings are attributed to the constraining influence of the crystal matrix. The calculations indicate that the electron transfer upon excitation is mostly from the dmpe ligand to the dmp ligand, while the Cu at. charge changes by only ∼+0.1e, although the charge distribution on Cu is significantly affected. As found for homoleptic [Cu(I)(dmp)2]+, the change in the population of the Cu atom is close to the calculated difference between the corresponding Cu(II) and Cu(I) complexes. Charge d. difference maps confirm these conclusions and show a large rearrangement of the electron d. on the Cu atom upon excitation.
In some applications, this compound(34302-69-7)COA of Formula: C28H26N4O is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.
Reference:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts