A study on the effect of 1-butyl-4-methylpyridinium bromide adsorption on the structural and electronic properties of B12N12 nano-cage was written by Ghasemi, Ashraf Sadat;Soltani, Alireza;Karimnia, Matin;Ashrafi, Fereydoun;Heidari, Fatemeh;Majidian, Mahtab. And the article was included in Journal of Molecular Liquids in 2019.Recommanded Product: 1-Butyl-4-methylpyridin-1-ium bromide This article mentions the following:
In this study, adsorption of 1-butyl-4-methylpyridinium bromide (BMPB) on the B12N12 nano-cage have been investigated by d. functional theory (DFT) at 298.15 K. Provided data clearly indicate that the adsorption behavior of this ionic liquid on B12N12 nano-cage is electrostatic in nature with an energy of -0.283 eV. Furthermore, the value of dipole moment in B12N12 fullerene interacting with ionic liquid 1-butyl-4 methylpyridinium bromide was increased from zero to 13.64 Debye, while the dipole moment value in BMPB is 9.68 Debye. Thereupon, it is simulated to calculate the geometric optimized structure, electronic properties, NQR (NQR), NMR (NMR) studies and the natural bond orbital (NBO) anal. are conducted sep. for both B12N12-BMPB and BMPB. The sensitivity of B12N12 nano-cage to BMPB was investigated and the calculated data indicate that this nano-cage is sensitive to the presence of this ionic liquid In the experiment, the researchers used many compounds, for example, 1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6Recommanded Product: 1-Butyl-4-methylpyridin-1-ium bromide).
1-Butyl-4-methylpyridin-1-ium bromide (cas: 65350-59-6) belongs to pyridine derivatives. Pyridine has a dipole moment and a weaker resonant stabilization than benzene (resonance energy 117 kJ·mol−1 in pyridine vs. 150 kJ·mol−1 in benzene). Halopyridines are particularly attractive synthetic building blocks in a variety of cross-coupling methods, including the Suzuki-Miyaura cross-coupling reaction.Recommanded Product: 1-Butyl-4-methylpyridin-1-ium bromide