An effective method for designing new heterocyclic compounds
of
6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile derivatives (CAPDs)
was presented through cyclocondensation reaction between 2,5-diarylidenecyclopentanone
derivatives and propanedinitrile, and the cyclocondensation reaction
succeeded using a sodium alkoxide solution (sodium ethoxide or sodium
methoxide) as the reagent and the catalyst. The synthesized CAPD derivatives
were employed as novel inhibitors for carbon steel (CS) corrosion
in a molar H
2
SO
4
medium. The corrosion protection
proficiency was investigated by electrochemical measurements (open
circuit potential vs time (
E
OCP
vs
t
), potentiodynamic polarization plots (PDP), and electrochemical
impedance spectroscopy (EIS)) and surface morphology (scanning electron
microscopy (SEM)) examinations. The results show that the CAPD derivatives
exhibit mixed type inhibitors and a superior inhibition efficiency
of 97.7% in the presence of 1.0 mM
CAPD-1
. The adsorption
of CAPD derivatives on the CS interface follows the Langmuir isotherm
model, including physisorption and chemisorption. Scanning electron
microscopy (SEM) exploration confirmed the adsorption of the CAPD
derivatives on the CS substrate. Monte Carlo (MC) simulations and
DFT calculations revealed that the efficacy of the CAPD molecules
correlates well with their structures, and this protection was attributed
to their adsorption on the CS surface.