A STUDY ON CORRELATION BETWEEN ELECTRONIC STRUCTURE AND INHIBITION PROPERTIES OF FIVE-MEMBERED DINITROGEN HETEROCYCLIC COMPOUNDS

J Chin Soc Corr Pro

1996, Vol. 16

Issue (3): 195-200 DOI:

Current Issue | Archive | Adv Search

A STUDY ON CORRELATION BETWEEN ELECTRONIC STRUCTURE AND INHIBITION PROPERTIES OF FIVE-MEMBERED DINITROGEN HETEROCYCLIC COMPOUNDS

LUO Mingdao; YAO Luan; WU Qingyu; YAN Xiaoci;YU Xiaodong; ZOU Jingyun; OUYANG Li (Dept. of Chemistry;Dept. of Environmental Science; Wuhan University)

Download:

PDF(397KB)
Export: BibTeX | EndNote (RIS)

Abstract The inhibition efficiencies of imidazole and its derivatives, analgen, and amidopyrine for mild steel in hydrochloric acid were drtermined with weight loss method. The geometries of imidazole and its derivatives were optimized, and the energies and coefficients of their molecular orbitals were calculated using semiempirical MNDO method. Approximate ground-state electronic properties of analgen and amidopyrine were obtained by means of MNDO and CNDO/2 methods. It was found that the sum of net charges of five atoms in the ring for imidazole and its derivatives was well correlated with their inhibiting efficiencies.The mechanism of inhibition process was discussed with quantum chemistry.

Key words: Imidazole and its derivatives Inhibition MNDO method

Received: 25 June 1996

	Service

	E-mail this article
	Add to citation manager
	E-mail Alert
	RSS
	（）
	Articles by authors

Cite this article:

LUO Mingdao; YAO Luan; WU Qingyu; YAN Xiaoci;YU Xiaodong; ZOU Jingyun; OUYANG Li (Dept. of Chemistry;Dept. of Environmental Science; Wuhan University). A STUDY ON CORRELATION BETWEEN ELECTRONIC STRUCTURE AND INHIBITION PROPERTIES OF FIVE-MEMBERED DINITROGEN HETEROCYCLIC COMPOUNDS. J Chin Soc Corr Pro, 1996, 16(3): 195-200.

URL:

https://www.jcscp.org/EN/ OR https://www.jcscp.org/EN/Y1996/V16/I3/195

1唐子龙,宋诗哲．中国腐蚀与防护学报,1995,15(3):2292罗明道,毕刚,旷富贵,姚禄安,颜肖慈．化学学报,1994,52:6203PopleJA,BeveridgeDL．著,江元生译．分子轨道近似方法理论,北京:科学出版社,1978．p．1174福井谦一著．李荣森译．化学反应与电子轨道,北京:科学出版社,1985．p．233

[1]	WANG Yating, WANG Kexu, GAO Pengxiang, LIU Ran, ZHAO Dishun, ZHAI Jianhua, QU Guanwei. Inhibition for Zn Corrosion by Starch Grafted Copolymer[J]. 中国腐蚀与防护学报, 2021, 41(1): 131-138.
[2]	LU Shuang, REN Zhengbo, XIE Jinyin, LIU Lin. Investigation of Corrosion Inhitibion Behavior of 2-aminobenzothiazole and Benzotriazole on Copper Surface[J]. 中国腐蚀与防护学报, 2020, 40(6): 577-584.
[3]	LI Xianghong, DENG Shuduan, XU Xin. Inhibition Action of Cassava Starch Ternary Graft Copolymer on Steel in H₂SO₄ Solution[J]. 中国腐蚀与防护学报, 2020, 40(2): 105-114.
[4]	QIN Yueqiang, ZUO Yong, SHEN Miao. Corrosion Inhibition of 316L Stainless Steel in FLiNaK-CrF₃/CrF₂ Redox Buffering Molten Salt System[J]. 中国腐蚀与防护学报, 2020, 40(2): 182-190.
[5]	LV Xianghong,ZHANG Ye,YAN Yali,HOU Juan,LI Jian,WANG Chen. Performance Evaluation and Adsorption Behavior of Two New Mannich Base Corrosion Inhibitors[J]. 中国腐蚀与防护学报, 2020, 40(1): 31-37.
[6]	Peipei KONG, Nali CHEN, Dezhong BAI, Yueyi WANG, Yong LU, Huixia FENG. Research Progress on Preparation and Corrosion Inhibition Performance of Chitosan Derivatives[J]. 中国腐蚀与防护学报, 2018, 38(5): 409-414.
[7]	Zheng LIU, Haiying LI, Hao WANG, Yong ZHAO, Siwei XIE, Shufen ZHANG. Molecular Dynamics Simulation of Adsorption Behavior of Schiff Base Surfactants on Zn Surface in Aqueous Solution[J]. 中国腐蚀与防护学报, 2018, 38(4): 381-390.
[8]	Sai YE, Moradi Masoumeh, Zhenlun SONG, Fangqin HU, Zhaohui SHUN, Jianping LONG. Inhibition Effect of Pseudoalteromonas Piscicida on Corrosion of Q235 Carbon Steel in Simulated Flowing Seawater[J]. 中国腐蚀与防护学报, 2018, 38(2): 174-182.
[9]	Haiyuan WANG, Yinghui WEI, Huayun DU, Baosheng LIU, Chunli GUO, Lifeng HOU. Corrosion Inhibition and Adsorption Behavior of Green Corrosion Inhibitor SDDTC on AZ31B Mg-alloy[J]. 中国腐蚀与防护学报, 2018, 38(1): 62-67.
[10]	Xiang ZUO,Yufeng JIANG,Ting CHI,Xin HU,Dongmei CAO,Feng CAI. Synthesis and Performance of New Benzotriazole Derivatives with Long Alkyl Chain as Corrosion Inhibitors[J]. 中国腐蚀与防护学报, 2016, 36(5): 415-420.
[11]	Chunxia WANG,Jingping CHEN,Xiaohong ZHANG,Chengyin WANG. Corrosion Inhibition of Octyl Isoquinolinium Bromide on Q235 Carbon Steel in HCl Solution[J]. 中国腐蚀与防护学报, 2016, 36(3): 245-252.
[12]	Tao XIAO,Moradi Masoumeh,Zhenlun SONG,Lijing YANG,Tao YAN,Lifeng HOU. *Inhibition Effect of Exopolysaccharide of Vibrio Neocaledonicus sp. on Q235 Carbon Steel inSulphuric Acid Solution*[J]. 中国腐蚀与防护学报, 2016, 36(2): 150-156.
[13]	Tao YAN,Zhenlun SONG,Moradi Masoumeh,Lijing YANG,Tao XIAO,Lifeng HOU. *Effect of Vibrio Neocaledonicus sp. on Corrosion Behavior of Copper in Artificial Sea Water*[J]. 中国腐蚀与防护学报, 2016, 36(2): 157-164.
[14]	Wenjing LV,Yingjun ZHANG,Chao SHI,Yawei SHAO,Yanqiu WANG,Guozhe MENG. Synthesis and Corrosion Inhibition Performance of Polyatyrolsulfon-acid Doped Polyaniline[J]. 中国腐蚀与防护学报, 2015, 35(6): 519-524.
[15]	Yuna WANG, Kaibin NIE, Dong YANG, Juanyang YAO, Wantian DONG, Qiangqiang LIAO. Corrosion Inhibition of 2-Undecyl-N-Carboxymethyl-N- Hydroxyethyl Imidazoline on Carbon Steel in Simulated Seawater Reverse Osmosis Product Water[J]. 中国腐蚀与防护学报, 2015, 35(5): 407-414.

No Suggested Reading articles found!

Viewed

Full text

Abstract

Cited

Shared

Discussed