Browsing QFA_Articles by Author "c6e9fefa-3ece-4355-ac8a-e5f60f61a6c4"
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A theoretical study on the mechanism of the base-promoted decomposition of N-chloro,N-methylethanolamine
Ramos, Daniel R.; Castillo, Raquel; Canle López, Moisés; García Dopico, María Victoria; Andres, Juan; Santaballa López, J. Arturo Royal Society of Chemistry (2009)The first step of the base-promoted decomposition of N-chloro,N-methylethanolamine in aqueous solution (CH3N(Cl)CH2CH2OH + HO- →imine + Cl- + H2O (+ CH2O)→amine + aldehyde) is investigated at the MP2/6-31++G(d,p) computing ...