Das, Dhiraj published the artcileWater-assisted ground state intra-molecular proton transfer in 2,5-dihydroxy-substituted azobenzenes: experimental and computational studies, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is dihydroxy azobenzene tautomer oscillator strength intramol proton transfer.
Herein, the phenomenon of ground-state proton transfer in a series of 2,5-dihydroxy azobenzene derivatives was studied. The mechanism of proton transfer in a dimethylacetamide (DMA)-water mixture was investigated by UV-vis spectroscopy. Time-dependent d. functional theory (TD-DFT) calculations were performed to achieve further confirmations. The intramol. hydrogen bond between the hydrogen atom of the o-hydroxyl group and the azo-group was found to be reinforced during the hydrogen transfer process. The topol. properties of the intramol. interactions were determined by atoms in mols. (AIM) calculations using the AIM2000 package. It was observed that water mols. and substitutions at the ortho-position corresponding to the azo-group facilitated the occurrence of the proton transfer mechanism in the ground state. The effect of the substitutions and water mols. was investigated by the DFT calculations
CrystEngComm published new progress about Bader electron density. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts