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Vibrational spectra and normal coordinate analysis of isotopically labelled peroxyformic acid
Affiliation:1. Environmental Microbiology and Biotechnology Laboratory, Engineering School of Environmental & Natural Resources, Engineering Faculty, Universidad del Valle - Sede Meléndez, A.A. 25360 Santiago de Cali, Colombia;2. Centro de Investigación y Desarrollo en Ciencias Aplicadas “Dr. J.J. Ronco” (CINDECA), Departamento de Química, Facultad de Ciencias Exactas, UNLP-CCT La Plata, CONICET, 47 No. 257, 1900 La Plata, Buenos Aires, Argentina;1. Jiangsu Key Laboratory for Bioresources of Saline Soils, Jiangsu Synthetic Innovation Center for Coastal Bio-Agriculture, Yancheng Teachers University, Yancheng, 224007, PR China;2. School of Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng, 224007, PR China;1. Key Laboratory of Groundwater Resources and Environment, Ministry of Education, Jilin University, Changchun 130021, PR China;2. Department of Civil and Ecological Engineering, I-Shou University, Kaohsiung City 84008, Taiwan;3. Department of Ecoscience and Ecotechnology, National University of Tainan, Tainan 70005, Taiwan;4. Department of Soil and Environmental Sciences, National Chung Hsing University, Taichung 40227, Taiwan;1. Key Laboratory of the Three Gorges Reservoir Region’s Eco-Environment, Ministry of Education, Chongqing University, Chongqing 400045, China;2. Department of Civil and Environmental Engineering, University of California, Irvine, CA 92617-2175, USA;1. State Key Laboratory of Pollution Control and Resource Reuse & School of the Environment, Nanjing University, Nanjing, China;2. Department of Veterinary Biomedical Sciences and Toxicology Centre, University of Saskatchewan, Saskatoon, Saskatchewan, Canada;3. Department of Zoology, and Center for Integrative Toxicology, Michigan State University, East Lansing, MI, USA;4. School of Biological Sciences, University of Hong Kong, Hong Kong, China;5. Department of Biology, Hong Kong Baptist University, Hong Kong, China;1. State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry & Chemical Engineering and Center of Materials Analysis, Nanjing University, 22 Hankou Road, Nanjing 210093, China;2. Jiangsu Collaborative Innovation Center of Biomedical Functional Materials, Jiangsu Key Laboratory of Biomedical Materials, College of Chemistry and Materials Science, Nanjing Normal University, 122 Ninghai Road, Nanjing 210097, China
Abstract:Infrared spectra of peroxyformic acid (HCOOOH) and the six isotopic modifications H13COOOH, HC18OOOH, DCOOOH, HCOOOD, H13COOOD, DCOOOD have been recorded in an argon matrix in the spectral range 200–4000 cm−1. Assignments of the observed absorption lines are presented for the available isotopic species. All fundamental vibrations except one have been identified. A general valence force field has been determined based on the measured vibrational frequencies and on an ab initio MP2/6-31G** force field.
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