Vibrational relaxation study of CO stretching mode of liquid N,N-dimethylformamide: Comparative study with theoretical calculation |
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| Affiliation: | 1. Diamond Light Source Limited, Harwell Science and Innovation Campus, Chilton, Oxon OX11 0DE, UK;2. Department of Materials, School of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London E1 4NS, UK;1. Elettra – Sincrotrone Trieste, S.S. 14 Km 163.5, 34149 Basovizza, Trieste, Italy;2. CNR-IOM, TASC Laboratory, S.S. 14 Km 163.5, 34149 Basovizza, Trieste, Italy;1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China;2. Laboratory of Pathogenic Biology, Medical College, Qingdao University, Qingdao 266071, People’s Republic of China;3. Institute for Computational Sciences and Engineering, Laboratory of New Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071, People’s Republic of China |
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| Abstract: | The study reports to the bandshape analysis of C O stretching band of liquid N,N-dimethylformamide using various polar and non-polar solvents. The changes in bandwidths and anisotropy shift have been explained for neat liquid as well as binary mixtures using different solvents. The vibrational relaxation rates were correlated with different solvent concentrations to understand interacting nature of molecules. Ab initio calculation is carried out to give a complete picture of the molecule and vibrational spectra. The calculated characteristics of DMF are in good agreement with experimental values, allowing them to be used in spectral and structural analysis. |
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| Keywords: | Isotropic Anisotropic Vibrational spectra Relaxation time Ab-initio Binary mixture |
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