Conformational studies of mercaptoacetaldehyde and mercaptoacetone by 1H-NMR,Raman and infrared spectroscopy |
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| Affiliation: | 1. Nikolaev Institute of Inorganic Chemistry SB RAS, 630090, Lavrentiev Ave., 3, Novosibirsk, Russia;2. Novosibirsk State University, 630090, Pirogova Str., 2, Novosibirsk, Russia;1. Centre for Composite Materials, Department of Mechanical Engineering, Kalasalingam University, Krishnankoil, Virudhunagar 626 126, Tamil Nadu, India;2. Department of Mechanical Engineering, P.S.R Engineering College, Sivakasi 626 140, Tamil Nadu, India;3. Centre for Advanced Materials, Department of Mechanical Engineering, Levengipuram 627 114, Tamil Nadu, India;1. Jiyang College ZheJiang A & F University, Zhu’ji, Zhejiang Province 311800, China;2. Key Laboratory of Chemical Utilization of Forestry Biomass of Zhejiang Province Zhejiang A & F University, Zhejiang Province 311300, China;3. Department of Chemical Engineering, Liaocheng University, 252059, China;1. Natural Product Chemistry, CSIR-Central Institute of Medicinal and Aromatic Plants-Research Centre, Boduppal, Hyderabad 500092, India;2. Toxicology Unit, Biology Division, CSIR-Indian Institute of Chemical Technology, Hyderabad 500007, India;1. New Drug Research & Development Center, School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China;2. Collaborative Innovation Center of New Drug Research and Safety Evaluation, Henan Province, China;3. Key Laboratory of Technology of Drug Preparation, Zhengzhou University, Ministry of Education, China;4. Key Laboratory of Henan Province for Drug Quality and Evaluation, China;5. School of Basic Medical Sciences, Zhengzhou University, Zhengzhou 450001, China;6. Pathology and Laboratory Medicine, University of California, Irvine, Orange, CA 92868, USA |
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| Abstract: | Molecular structures of mercaptoacetaldehyde and mercaptoacetone in the crystalline state and in solutions have been studied by 1H-NMR, Raman and infrared spectroscopy. Both compounds exist as centrosymmetric dimers having six-membered 1,4-dithian ring skeletons in the crystalline state and in freshly-prepared dimethylsulfoxide and pyridine solutions. In equilibrium solutions, non-centrosymmetric dimers having 1,4-dithian ring skeletons and the monomer also exist. No evidence that suggests the existence of five-membered ring dimer in solutions has been obtained for both compounds. The most stable species in solution is the non-centrosymmetric dimer in the case of mercaptoacetaldehyde and the monomer in the case of mercaptoacetone. |
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