Normal coordinate analysis of 1,4-diethynylbenzene |
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| Affiliation: | 1. College of Food Science, Southwest University, Chongqing, 400715, PR China;2. Department of Food Science, Rutgers University, 65 Dudley Road, New Brunswick, NJ 08901, USA;3. Department of Food Science and Engineering, Jinan University, No. 601 Huangpu Avenue West, Guangzhou, Guangdong, 510632, PR China;4. Eastern Regional Research Center, Agricultural Research Service, United States Department of Agriculture, 600 East Mermaid Lane, Wyndmoor, PA 19038, USA;3. Department of General Microbiology, Institute for Microbiology and Genetics, Georg-August University Göttingen, D-37077 Göttingen, Germany;4. Department of Cell Biology and Molecular Genetics, University of Maryland, College Park, Maryland 20742 |
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| Abstract: | Normal coordinate analysis has been carried out for the 1,4-diethynyl benzene molecule on the basis of experimental frequencies from the natural compound and its deuterated derivatives. A canonic force field has been set up by transferring force constants from related molecules. This force field has been refined to the experimental frequencies. A reassignment of the vibrational spectrum of 1,4-diethynyl benzene has been carried out. |
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