Vibro-conformational behaviour and normal coordinate analysis of fluorocarbonyl isocyanate,FC(O)NCO |
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| Institution: | 1. Department of Physics, Pachaiyappa’s College, Chennai 600 030, India;2. Research & Development, St. Peter’s University, Avadi, Chennai 600 054, India;3. Department of Physics, Pallavan College of Engineering, Kanchipuram 631502, India;4. Department of Physics, L.N. Govt. Arts College, Ponneri 601204, India;1. National and Kapodistrian University of Athens, Department of Chemistry, Laboratory of Physical Chemistry, Athens 15771, Greece;2. Department of Chemistry and Biochemistry, Auburn University, Auburn, AL 36849-5312, USA;1. Department of Applied Chemistry and Institute of Molecular Science, National Yang Ming Chiao Tung University, Hsinchu 300093, Taiwan;2. National Synchrotron Radiation Research Center, 101 Hsin-Ann Road, Hsinchu Science Park, Hsinchu 30076, Taiwan;1. Department of Biochemistry and Microbiology, Faculty of Food and Biochemical Technology, University of Chemistry and Technology, Prague, Czech Republic;2. Department of Genomics and Bioinformatics, Institute of Molecular Genetics, Academy of Sciences of the Czech Republic, Prague, Czech Republic;3. Department of Food Analysis and Nutrition, Faculty of Food and Biochemical Technology, University of Chemistry and Technology, Prague, Czech Republic |
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| Abstract: | Vibrational data of vapour, liquid and matrix-isolated fluorocarbonyl isocyanate, FC(O)NCO, were investigated. A subsequent normal coordinate analysis was performed for the A′ species of the predominant planar cis conformer (CO double bond cis with respect to the vicinal NC double bond). The following internal force constants were derived: fCO= 12.88 mdyn Å?1, fCF=6.20 mdyn Å?1 and FCN= 4.42 mdyn Å?1. |
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