Mechanism of mercury monomethyl cation detoxication in the interaction with 1-chloro-2,2-propane dithiol

Autor:	S. G. Shevchenko, Vladimir A. Shagun, Vladimir I. Smirnov, Yu. L. Frolov, L. G. Shagun
Rok vydání:	2006
Předmět:	Monomethyl mercury Inorganic chemistry chemistry.chemical_element Dithiol Activation energy Medicinal chemistry Mercury (element) Inorganic Chemistry chemistry.chemical_compound chemistry Propane Mole Materials Chemistry Physical and Theoretical Chemistry Methylmercury Demethylation
Zdroj:	Journal of Structural Chemistry. 47:831-838
ISSN:	1573-8779 0022-4766
DOI:	10.1007/s10947-006-0398-1
Popis:	The potential interaction surface between polyhydrated monomethyl mercury cation and 1-chloro-2.2-propane dithiol has been studied by quantum chemical methods. The system generates the hydroxonium cation due to the interaction, which is a demethylating agent for methylmercury. The total thermal balance of the demethylation reaction is 244.5 kJ/mol, the activation energy of the limiting stage in the process has a value of 39.1 kJ/mole.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2bd88022194ede8887d1b1aa526156fb https://doi.org/10.1007/s10947-006-0398-1 Zobrazit plný text záznamu Plný text ve formátu PDF