Oxidation reactions of carbaryl in aqueous solutions
- Title
- Oxidation reactions of carbaryl in aqueous solutions
- Creator
- Nair S.R.; Menacherry S.P.M.; Renjith S.; Manojkumar T.K.; Aravind U.K.; Aravindakumar C.T.
- Description
- Hydroxyl radical induced oxidation of carbaryl has been studied using steady state photolysis followed by high-resolution mass spectrometry (LC-Q-TOF-MS), pulse radiolysis, and theoretical (DFT) calculations. The reaction of ?OH with carbaryl resulted in a number of hydroxylated adduct radicals (?max - 330 nm and 390 nm; k2 - 1.2 1010 dm3 mol-1 s-1). The DFT calculations and results obtained from LC-Q-TOF-MS analysis shows the possible addition of ?OH at C1 (energetically most stable) and C7 positions of carbaryl leading to the generation of resonance stabilized hydroxycyclohexadienyl-type radicals as the immediate intermediates, which eventually converted into naphthol and a hydroxylated naphthols. LC-Q-TOF-MS results also revealed the formation of other hydroxylated derivatives and naphthoquinones that are most likely originated from the consecutive ?OH attack on the initially formed products. Naphthoquinones are found to undergo ring opening and the corresponding products are identified. The reaction of SO4?- with carbaryl, on the other hand, results the radical cation of parent molecule (?max - 320 nm and 390 nm) which exhibits reasonable stability in the pulse radiolysis timescale. Total organic carbon (TOC) analysis after H2O2/UV photolysis revealed that nearly 70% of the organic content is mineralized after 35 min of irradiation, which demonstrates the potential application of oxidative methods towards the degradation of carbaryl. 2021 Elsevier B.V.
- Source
- Chemical Physics, Vol-554
- Date
- 2022-01-01
- Publisher
- Elsevier B.V.
- Subject
- DFT calculations; H2O2/UV photolysis; LC-Q-TOF-MS; Pulse radiolysis; Radical cation
- Coverage
- Nair S.R., School of Chemical Sciences, Mahatma Gandhi University, Priyadarsini Hills, Kottayam, Kerala, India, Department of Chemistry, Mahatma Gandhi College, Trivandrum, Kerala, India; Menacherry S.P.M., School of Environmental Sciences, Mahatma Gandhi University, Priyadarsini Hills, Kottayam, Kerala, India, Czech University of Life Sciences Prague, Faculty of Agrobiology, Food and Natural Resources, Department of Soil Science and Soil Protection, Kamk129, Prague 6, 16,521, Czech Republic; Renjith S., Department of Chemistry, Christ University, Bengaluru, 560029, Karnataka, India; Manojkumar T.K., Indian Institute of Information Technology and Management, Thiruvananthapuram, 695 581, Kerala, India; Aravind U.K., School of Environmental Studies, Cochin University of Science and Technology (CUSAT), Kochi, Kerala, India; Aravindakumar C.T., School of Environmental Sciences, Mahatma Gandhi University, Priyadarsini Hills, Kottayam, Kerala, India, Inter University Instrumentation Centre, Mahatma Gandhi University, Priyadarsini Hills, Kottayam, Kerala, India
- Rights
- Restricted Access
- Relation
- ISSN: 3010104; CODEN: CMPHC
- Format
- Online
- Language
- English
- Type
- Article
Collection
Citation
Nair S.R.; Menacherry S.P.M.; Renjith S.; Manojkumar T.K.; Aravind U.K.; Aravindakumar C.T., “Oxidation reactions of carbaryl in aqueous solutions,” CHRIST (Deemed To Be University) Institutional Repository, accessed February 26, 2025, https://archives.christuniversity.in/items/show/15185.