Synthetic Route of 3682-14-2, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.3682-14-2, Name is 6-Amino-2,3-dihydrophthalazine-1,4-dione, molecular formula is C8H7N3O2. In a article£¬once mentioned of 3682-14-2
Luminol: Extended hydrogen bond network in water solution
Density functional theory at the B3LYP/6-311G (d, p) level was used to obtain the optimised geometries of a series of luminol-water complexes with stoichiometric ratios ranging from 1:1 to 1:5 both in the gas phase and in aqueous solution. All the calculations show that there are strong hydrogen bond interactions between luminol and water due to the existence of CO, NH, and NH2 groups in luminol molecule. By comparing the relative energy and binding energy, the most stable hydrogen bond complex is suggested, which involves extended hydrogen-bonding networks. Then the changes of luminol geometry structure, charge distribution, frontier orbital properties, and the absorption spectrums induced by hydrogen bond and solvent effects were investigated. The results show that the hydrogen bonds increase the planarity of system, which further decrease the HOMO-LUMO energy gap, and induce maximum absorption shift. This work will be helpful for understanding the effect of hydrogen bond on hydrazide chemiluminescence reagents.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 3682-14-2
Reference£º
Phthalazine – Wikipedia,
Phthalazine | C8H6N660 – PubChem