Thiosemicarbazides and thiosemicarbazones: non-linear quantitative structure–efficiency model of corrosion inhibition

摘要: Abstract The variation in the inhibition efficiency ( η ) of thiosemicarbazide and thiosemicarbazone derivatives was explained terms molecular parameters. effect concentration taken into account by assuming that adsorption corrosion inhibitors follows Langmuir isotherm. model used differs from proposed earlier, because instead constant K , ln  considered dependent variable quantitative structure–efficiency relationships. This modification allowed treating linear free-energy numerical procedure to obtain regression coefficients based on a non-linear technique. results indicated can be energy highest occupied orbital dipole moment, or alternatively, difference lowest unoccupied orbitals.