Ovchenkova, Ekaterina N.; Tsaturyan, Arshak A.; Bichan, Nataliya G.; Lomova, Tatyana N. published an article in 2021. The article was titled 《N Basicity of Substituted Fullero[60]/[70]pyrrolidines According to DFT/TD-DFT Calculations and Chemical Thermodynamics》, and you may find the article in Journal of Physical Chemistry A.Related Products of 1539-42-0 The information in the text is summarized as follows:
The basicity thermodn. parameters of pyridyl/imidazole-substituted fullero[60]/[70]pyrrolidines with respect to N heteroatoms in dichloromethane, which are necessary both to deepen insight into aromaticity “”neque levia”” and to create supramol. chem. structures for application, are obtained and discussed in this work. Because of the presence of a chromophore in the mols., the acid-base reactions of three C60 derivatives functionalized in different ways and one C70 derivative are studied using spectrophotometric titration with trifluoroacetic acid. The dependence of the pK values determined using the data on Hammett′s acidity functions, H0, for a binary nonaqueous solvent on the mol.′s chem. structure is shown. D. functional theory (DFT) and time-dependent DFT (TD-DFT) at the B3LYP/6-311G(d,p) level were used for the optimization of the fullerene derivative structures and modeling of their UV-vis spectra. The pKBH+ values of substituted fullero[60]/[70]pyrrolidines are predicted by quantum-chem. calculations After reading the article, we found that the author used Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0Related Products of 1539-42-0)
Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0) is a secondary amine with two picolyl substituents. The compound is a tridentate ligand in coordination chemistry and commonly used to produce Zn-based chemosensors/probes, such as Zinpry.Related Products of 1539-42-0