Abstract The inhibition efficiency of copper corrosion in 1 M HNO3 by five piperidine and oxaquinuclidine core containing compounds namely 2,4,6,11-tetraphenyl-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane (OX1), 2,4,6,11-tetraaryl (4-methoxyphenyl)-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane (OX2), 2,4,6,11-tetraaryl (4-chlorophenyl)-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane (OX3), 2,4,6,11-tetraaryl-p-tolyl-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane (OX4), and 2,4,6,11-tetraaryl (4-fluorophenyl)-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane (OX5) has been investigated using gravimetric method, electrochemical studies, FT-IR, scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), DFT and Monte Carlo simulation techniques. Inhibitors are chosen based on electron donating and accepting ability to the metal surface. These compounds differentiated in phenyl ring containing electron withdrawing (Cl, F) and electron releasing (OCH3, CH3) substituents. Experimental and computational studies showed that methoxy (OCH3) substituent exhibit more efficiency compared to other compounds and it is due to more electron donating nature of the OCH3 group. The adsorption of the inhibitors on copper surface obeyed Langmuir adsorption isotherm. Polarization results show that OXs are acting as a mixed type of inhibitors. In the surface characterization studies, change in frequency (FT-IR), change in surface roughness (SEM) and appearance of additional element peaks (EDX) before and after film formation confirmed the protective layer formation. Quantum chemical parameters and Monte Carlo simulation studies further evidenced by the inhibitor adsorption of the copper surface.

中文翻译：

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含有衍生物的新型哌啶和恶喹核苷核作为硝酸介质中铜的有效缓蚀剂的实验和理论评价

摘要 含五哌啶和氧喹啉环的化合物 2,4,6,11-四苯基-9-氧杂-1,5-二氮杂三环 [5.3.1.03.8] 十一烷 (OX1) 对 1 M HNO3 中铜腐蚀的抑制效率, 2,4,6,11-四芳基 (4-甲氧基苯基)-9-oxa-1,5-二氮杂三环 [5.3.1.03.8] 十一烷 (OX2), 2,4,6,11-四芳基 (4-氯苯基) )-9-oxa-1,5-二氮杂三环 [5.3.1.03.8] 十一烷 (OX3), 2,4,6,11-四芳基-p-tolyl-9-oxa-1,5-二氮杂三环 [5.3.1.03] .8] 十一烷 (OX4) 和 2,4,6,11-四芳基 (4-氟苯基)-9-oxa-1,5-二氮杂三环 [5.3.1.03.8] 十一烷 (OX5) 已使用重量分析法进行了研究、电化学研究、FT-IR、扫描电子显微镜 (SEM)、能量色散 X 射线分析 (EDX)、DFT 和蒙特卡罗模拟技术。抑制剂的选择基于对金属表面的电子供体和接受能力。这些化合物的区别在于苯环含有吸电子 (Cl, F) 和电子释放 (OCH3, CH3) 取代基。实验和计算研究表明，与其他化合物相比，甲氧基 (OCH3) 取代基表现出更高的效率，这是由于 OCH3 基团的更多给电子性质。抑制剂在铜表面的吸附服从朗缪尔吸附等温线。极化结果表明，OXs 是一种混合类型的抑制剂。在表面表征研究中，成膜前后的频率变化 (FT-IR)、表面粗糙度 (SEM) 变化和附加元素峰 (EDX) 的出现证实了保护层的形成。铜表面的抑制剂吸附进一步证明了量子化学参数和蒙特卡罗模拟研究。