Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 716-79-0, Name is 2-Phenyl-1H-benzo[d]imidazole, molecular formula is , belongs to imidazoles-derivatives compound. In a document, author is Bereket, G, Recommanded Product: 716-79-0.
Quantum chemical studies on some imidazole derivatives as corrosion inhibitors for iron in acidic medium
In this work, computational studies on some imidazole derivatives which behave as corrosion inhibitors at various levels for iron in hydrochloric acid were carried out in gaseous and aqueous phases using semiemprical methods such as MINDO/3, MNDO, PM3 and AM1. Possible correlations between experimentally obtained inhibition efficiencies and calculated highest occupied molecular energy level (E-HOMO), lowest unoccupied molecular energy level (E-LUMO) and the differences between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies (E-LUMO – E-HOMO) were studied. Correlation between inhibition efficiencies and total charges (Z) of molecules, were also investigated. Regression analysis were performed on inhibition efficiencies (P), (E-HOMO) and (E-LUMO) energies of the studied molecules. (C) 2002 Elsevier Science B.V. All rights reserved.
Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 716-79-0, in my other articles. Recommanded Product: 716-79-0.