Corrosion Inhibition Efficiency Of Nicotine Based On Quantum Chemical Study | Zendy

Yayuk Wirayani | Zendy; Maria Ulfa | Zendy; Yahmin Yahmin | Zendy

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Corrosion Inhibition Efficiency Of Nicotine Based On Quantum Chemical Study

Author(s) -

Yayuk Wirayani,

Maria Ulfa,

Yahmin Yahmin

Publication year - 2018

Publication title -

acta chimica asiana

Language(s) - English

Resource type - Journals

eISSN - 2550-0503

pISSN - 2550-049X

DOI - 10.29303/aca.v1i2.29

Subject(s) - corrosion , quantum chemical , chemistry , nicotine , quantum efficiency , photochemistry , organic chemistry , molecule , materials science , optoelectronics , neuroscience , biology

The effect of substituents, electron donor groups (NH2, OH, CH2OH and CH3) and electron withdrawal groups (NO2, COOH, and Cl) to the efficiency of corrosion inhibition of nicotine has been studied using theoretical studies. The effect of substituents toward the efficiency of corrosion inhibition of nicotine based on quantum parameters (EHOMO, ELUMO, Egap, I, χ, dan ΔN). The efficiency of corrosion inhibition based on quantum parameters is NH2 > OH > CH2OH > CH3 > BN > Cl > COOH > NO2. The addition of electron donor group NH2 has the highest inhibitory efficiency of 99.79 %. In contrast, the presence of electron withdrawal group NO2 has the opposite effect.

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