Ab-initio calculations relevant to the mechanism of chemical carcinogenesis by N-nitrosamines. Part IV. Decomposition of the α-hydroxynitrosamine

C.A. Reynolds, C. Thomson

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Ab-initio calculations using a split-valence basis set are reported on the decomposition of the α-hydroxynitrosamine. The decomposition in acid, alkali, lipid and aqueous media is considered. It is concluded that the monoalkylnitrosamine is not a favoured decomposition product, and that the reaction proceeds most readily under alkaline conditions.

Original languageEnglish
Pages (from-to)131-139
Number of pages9
JournalJournal of Molecular Structure: THEOCHEM
Volume138
Issue number1-2
DOIs
Publication statusPublished - Jun 1986
Externally publishedYes

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