title: GC-MS comparison of the behavior of chlorine and sodium hypochlorite towards organic compounds dissolved in water.
abstract: The reaction pathways of aqueous chlorination of anisole, ethylbenzene and o-methoxybenzoic acid being structural fragments of humic matter were studied using gas chromatography-mass spectrometry. Chlorine and sodium hypochlorite were used as commonly employed disinfecting agents. Comparison of the chlorinating agents was performed in terms of the assortment and relative amounts of reaction products. Detailed schemes of the selected substrates transformation were proposed. Quantum chemical calculations were applied to propose structures of the reacting particles and a numerical parameter to estimate an extent of conversion of aromatic substrates during chlorination.
authors.affiliation: Laboratory of Physical Organic Chemistry, Department of Chemistry, Moscow State University, Leninskie gory, Moscow 119992, Russia.
authors.forename: Albert T
authors.initials: AT
authors.lastname: Lebedev
authors.forename: Gulnara M
authors.initials: GM
authors.lastname: Shaydullina
authors.forename: Natalia A
authors.initials: NA
authors.lastname: Sinikova
authors.forename: Nina V
authors.initials: NV
authors.lastname: Harchevnikova
mesh_terms: D002713:Chlorine / Q000737:chemistry*; D008401:Gas Chromatography-Mass Spectrometry; D012973:Sodium Hypochlorite / Q000737:chemistry*; D012995:Solubility; D014867:Water / Q000737:chemistry; D018508:Water Purification
chemical_list: D014867:Water; D002713:Chlorine; D012973:Sodium Hypochlorite