Related Products of 108-47-4, Chemical engineers ensure the efficiency and safety of chemical processes, adapt the chemical make-up of products to meet environmental or economic needs, and apply new technologies to improve existing processes. 108-47-4, Name is 2,4-Dimethylpyridine,belongs to chiral-nitrogen-ligands compounds, now introducing its new discovery.
A density functional theory (DFT) method was used to study the monomer and intermolecular charge-transfer complexes of 22 different alkylpyridines with diiodine. DFT calculations revealed that the sigma* orbital of iodine interacts with the nitrogen lone pair in pyridines. The open-circuit photovoltage (Voc) values of a bis(tetrabutylammonium)cis- bis(thiocyanato)bis(2,2?-bipyridine-4-carboxylic acid, 4?-carboxylate)ruthenium(II) (N719) dye-sensitized nanocrystalline TiO2 solar cell with an I-/I3- redox electrolyte in acetonitrile using alkylpyridines additive were compared to computational calculations on the interaction between pyridines and I 2 by a DFT method. The optimized geometries, frequency analyses, Mulliken population analyses, and interaction energies suggest that the V oc value of the solar cell is higher, the more alkylpyridine complexes with I2.
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Reference：
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis—I. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis