Intermolecular electrical interactions and the structures and rigidity of cyclic,weakly bonded complexes |
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| Affiliation: | 1. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022, China;2. University of Science and Technology of China, Hefei, 230026, China;1. School of Physics and Physical Engineering, Qufu Normal University, Qufu 273165, China;2. Shandong Province Key Laboratory of Medical Physics and Image Processing Technology, School of Physics and Electronics, Shandong Normal University, 250014 Jinan, China;1. College of Chemistry, Jilin University, Changchun 130012, PR China;2. Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024, PR China;3. Institute of Theoretical Chemistry, Jilin University, Changchun 130021, PR China;4. School of Information Science and Technology, Northeast Normal University, Changchun, 130117, PR China;1. Chemical Physics Theory Group, Department of Chemistry, University of Toronto, 80 St. George St, Toronto, ON M5S 3H6, Canada;2. Department of Computer Science, University of Toronto, 40 St. George St, Toronto, ON M5S 2E4, Canada;3. Institute of Nanotechnology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany;4. Vector Institute for Artificial Intelligence, 661 University Avenue Suite 710, Toronto, ON M5G 1M1, Canada;5. Lebovic Fellow, Canadian Institute for Advanced Research (CIFAR), 661 University Avenue, Toronto, ON M5G 1M1, Canada;1. Department of Physics, Faculty of Science, Northern Border University, Arar, 1321, Saudi Arabia;2. Institute of Physical and Theoretical Chemistry, Goethe University, 60438, Frankfurt am Main, Germany;3. Chemistry Department, Faculty of Science, New Valley University, El-Kharga, 72511, Egypt;4. Department of Chemistry, University of Science and Technology of China, Hefei, 230026, China;5. Physics Department, Faculty of Science, Assiut University, Assiut, 71516, Egypt;1. Virginia Commonwealth University, Department of Mechanical and Nuclear Engineering, United States;2. Virginia Commonwealth University, Department of Physics, United States;3. Randolph-Macon College, Department of Physics, United States |
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| Abstract: | Intermolecular torsional potentials have been generated for a number of three- and four-membered cyclic complexes of hydrogen or weakly bonded molecules using a detailed electrical analysis that includes full mutual polarization. The librational rigidity of the complexes correlates well with the strength of the electrical interaction. Trends in the torsional force constants can be understood largely in terms of how dipole and quadrupole interactions are juxtaposed as relative orientations change. |
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