On the transferability of conformation in FC(O)S-containing compounds: Conformation and properties of methylfluorocarbonyl disulphide FC(O)SSCH3 |
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| Institution: | 1. Department of Science Education and Application, National Taichung University of Education, Taichung 40306, Taiwan, Republic of China;2. Genome and Systems Biology Degree Program, Academia Sinica and National Taiwan University, Taipei 10617, Taiwan, Republic of China;1. Institute of Engineering Thermophysics, Chinese Academy of Sciences, Beijing 100190, China;2. University of Chinese Academy of Sciences, Beijing 100049, China;1. Federal Institute of Parana, R. João XXIII, 600, Judith, Londrina, PR CEP 86060-370, Brazil;2. State University of Londrina, Physics Department – LARPE, Lab. Rod. Celso Garcia Cid, PR 445, km 380, 86057-970 Londrina, PR, Brazil;3. State University of Londrina, Chemistry Department – LPAC, Lab. Rod. Celso Garcia Cid, PR 445, km 380, 86057-970 Londrina, PR, Brazil;4. Central European Institute of Technology, Brno University of Technology, Purkyňova 123, CZ-61200 Brno, Czech Republic;5. Pitágoras Unopar University, Londrina, PR, Brazil;1. Departamento de Física, Universidade Federal de Juiz de Fora, Juiz de Fora, MG, 36036-900, Brazil;2. Wolverhampton School of Sciences, University of Wolverhampton, Wolverhampton, WV1 1LY, UK;3. Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais, Brazil;4. School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide, SA 5001, Australia;5. Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, 28040 Madrid, Spain;6. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas (CSIC), Serrano 113-bis, 28006 Madrid, Spain |
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| Abstract: | Methylfluorocarbonyl disulphide, FC(O)SSCH3, was prepared for the first time by reaction of FC(O)SCl with CH3SH at room temperature. Infrared data for the vapour and matrices (Ar, Ne and N2) as well as Raman, UV, mass and 19F, 13C and 1H NMR spectra have been obtained and interpreted.From these data, the most stable conformer was deduced to have the gauche conformation with respect to the FC(O) and CH3 groups with the syn conformation between the CO and SS bonds having C1 molecular symmetry. This conformer is in equilibrium with another, possibly the corresponding anti, referring to the CO and SS bonds.The main structure found for FC(O)S-containing compounds seems to be the syn conformation. |
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