Infrared matrix isolation and ab initio studies of 3(2H)-pyridazinone and photoproduced 3-hyroxypyridazine |
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| Affiliation: | 1. Egyptian Petroleum Research Institute, Nasr City 11727, Egypt;2. Chemistry Dept., Faculty of Science, Benha University, Benha 13518, Egypt;3. Agiba Petroleum Co, Nasr City 11717, Egypt;4. Faculty of Science, Mansoura University, Egypt;1. Hacettepe University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, 06100, Ankara, Turkey;2. İnönü University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, 44280, Malatya, Turkey;3. Hacettepe University, Faculty of Engineering, Department of Physics Engineering, 06532, Ankara, Turkey;1. NEUROFARBA, Sezione di Farmaceutica e Nutraceutica, Università degli Studi di Firenze, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Firenze, Italy;2. Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ, UK;3. NEUROFARBA, Sezione di Farmacologia e Tossicologia, Università degli Studi di Firenze, Viale Pieraccini 6, 50139 Firenze, Italy;1. Department of Vascular Surgery, Shanghai Ninth People’s Hospital, Shanghai JiaoTong University, School of Medicine, Shanghai, China;2. Vascular Centre of Shanghai JiaoTong University, Shanghai, China;1. Institute of Surgical Pathology, Medical Centre – University of Freiburg, Freiburg, Germany;2. Faculty of Medicine, University of Freiburg, Germany;3. Clinical Cancer Registry, Comprehensive Cancer Centre Freiburg, Medical Centre – University of Freiburg, Freiburg, Germany;4. Department of Hematology and Oncology, Medical Centre – University of Freiburg, Freiburg, Germany;5. Department of Radiation Oncology, Medical Centre – University of Freiburg, Freiburg, Germany;6. Department of Thoracic Surgery, Medical Centre – University of Freiburg, Freiburg, Germany |
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| Abstract: | The infrared spectra of 3(2H)-pyridazinone and its rare tautomeric form, 3-hydroxypyridazine, isolated in an argon matrix are reported and discussed. Only the first tautomer was observed after deposition of the matrix. The second form was photochemically produced after ultraviolet irradiation of the matrix (phototautomeric process). This form has never been observed experimentally before. Ab initio 3-21G normal coordinate calculations were carried out for these two forms and on that basis, an assignment of the experimental spectra of both compounds was performed. |
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