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Infrared spectra and assignments of 6Li/7Li substituted single crystals of lithium-2,4-pentanedionate
Affiliation:1. Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran;2. Faculty of Chemistry, Shahid Beheshti University G.C., Tehran 1983963113, Iran;3. Institute of Inorganic and Analytical Chemistry, Chair of Inorganic Chemistry II, Friedrich Schiller University Jena, Humboldtstr. 8, 07743 Jena, Germany;1. National Institute for R&D of Isotopic and Molecular Technologies, Donath St. 65-103, 400293 Cluj-Napoca, Romania;2. Beijing Synchrotron Radiation Facilities of Beijing Electron Positron Collider National Laboratory, Beijing, People''s Republic of China;3. Department of Physics & Chemistry, Technical University of Cluj-Napoca, 400020 Cluj-Napoca, Romania;4. Department of Mechanisms, Fine Mechanics and Mechatronics, Technical University of Cluj-Napoca, 400020 Cluj-Napoca, Romania;5. Horia Hulubei National Institute for R&D in Physics and Nuclear Engineering, 30 Reactorului Street, P.O. BOX MG-6, Bucharest–Magurele, Romania;6. Joint Institute for Nuclear Research, Frank Laboratory of Neutron Physics, 141980 Dubna, 6 Joliot-Curie Street, Russia;1. Max Planck-Weizmann Center for Integrative Archeology and Anthropology, Weizmann Institute of Science, Rehovot 76100, Israel;2. Department of Structural Biology and the Kimmel Center for Archeological Sciences, Weizmann Institute of Science, Rehovot 76100, Israel;3. Israel Antiquities Authority, POB 586, Jerusalem 91004, Israel;4. D-REAMS Radiocarbon Laboratory, Weizmann Institute of Science, Rehovot 76100, Israel
Abstract:
Polarized i.r. reflection spectra of single crystals of Li-2,4-pentanedionate (Li-acac) were recorded in the region from 200–600 cm−1. Bands due to vibrations of the lithium ions were identified using the 6Li/7Li isotopic replacement technique. Various LiO distances as well as different degrees of distortion in the four symmetrically unequal LiO4 coordination polyhedra lead to a specific spectroscopic behaviour for each of these polyhedra. It is therefore possible to suggest an assignment of the observed LiO bands to specific LiO4 groups. The results of a rough calculation support this assignment. A correlation between LiO distances and LiO stretching force constants is proposed.
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