Back to Search
Start Over
Synthesis, NMR characterization, DFT and anti-corrosion on carbon steel in 1M HCl of two novel 1,5-benzodiazepines
- Source :
- Journal of Molecular Structure. 1182:123-130
- Publication Year :
- 2019
- Publisher :
- Elsevier BV, 2019.
-
Abstract
- Benzodiazepines are known for their variety of applications. Herein, the corrosion inhibition efficiency on carbon steel in 1 M HCl solution in the presence and absence of two synthesized benzodiazepines 4-(2-Oxopropylidene)-1-propargyl-1,2,4,5-tetrahydro-3H-1,5-benzodiazepin-2-one (PTB) and 1-decyl-4-(2-oxopropylidene)-1,2,4,5-tetrahydro-3H-1,5-benzodiazepine-2-one (DTB) was investigated using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) methods at various concentrations from 10−3 to 10−6 K. The obtained structures were characterized using NMR spectroscopy. Potentiodynamic polarization measurements showed that 1,5-benzodiazepine derivatives act as a mixed type inhibitor. The various parameters of activation determining the kinetic data such as energy, enthalpy and entropy of the inhibitors were evaluated and discussed. The adsorptive behavior of PTB and DTB followed Langmuir-type isotherm. The standard free energies of adsorption were negative due to better inhibition performance. DFT calculations at the B3LYP/6-31 + G (d,p) level of theory in polarizable continuum model reveal that the high inhibition of efficiency of DTB compared with PTB may refer mainly to the easy electron transfer from the former to the carbon steel surface.
- Subjects :
- Carbon steel
010405 organic chemistry
Chemistry
Organic Chemistry
Enthalpy
Nuclear magnetic resonance spectroscopy
engineering.material
010402 general chemistry
01 natural sciences
Polarizable continuum model
0104 chemical sciences
Analytical Chemistry
Corrosion
Dielectric spectroscopy
Inorganic Chemistry
Electron transfer
Adsorption
engineering
Physical chemistry
Spectroscopy
Subjects
Details
- ISSN :
- 00222860
- Volume :
- 1182
- Database :
- OpenAIRE
- Journal :
- Journal of Molecular Structure
- Accession number :
- edsair.doi...........c7988cd4085037ec128c771954a3f09a