INHIBITION AND PPP QUANTUM CHEMISTRY STUDY OF BENZOTHIAZOLE DERIVATIVES

J Chin Soc Corr Pro

1998, Vol. 18

Issue (4): 307-310 DOI:

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INHIBITION AND PPP QUANTUM CHEMISTRY STUDY OF BENZOTHIAZOLE DERIVATIVES

ZHANG Da-quan YU Lu LU Zhu (Center of Corrosion Prevention; East China University of Science & Technology; Shanghai 200237)

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Abstract The corrosion and dezincification of Cu35Zn brass in 3%NaCl solution and their inhibition by three benzothiazole derivatives were investigated by means of solution analysis and potentiodynamic polarization curves. Their inhibition efficiency were found to decrease in the order: 2-mercaptobenzothiazole (MBT)> 2-aminobenzothiazole(ABT)>2-amino-7-methoxybenzothiazole (MABT). Although they inhibited the corrosion of brass, they were ineffective in preventing its dezincification. The structure parameters of these compounds were calculated by PPP-SCF quantum chemistry method. It was shown that the formation of π coordinate bond by a filled d-orbital of metal atom and an empty π* of inhibitor had an association with their inhibition efficiency.

Key words: Cu35Zn brass Benzothiazole derivatives Inhibition Dezincification PPP calculation

Received: 25 August 1998

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ZHANG Da-quan YU Lu LU Zhu (Center of Corrosion Prevention; East China University of Science & Technology; Shanghai 200237). INHIBITION AND PPP QUANTUM CHEMISTRY STUDY OF BENZOTHIAZOLE DERIVATIVES. J Chin Soc Corr Pro, 1998, 18(4): 307-310.

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https://www.jcscp.org/EN/ OR https://www.jcscp.org/EN/Y1998/V18/I4/307

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