Synthesis,crystal structure,vibrational spectra,optical properties and theoretical investigation of a two-dimensional self-assembled organic-inorganic hybrid material |
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| Institution: | 1. Department of Materials Science, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation;2. Department of Geology, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation;3. Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russian Federation;1. Prince Sattam Bin Abdulaziz University, College of Science and Humanity Studies, Department of Chemistry, P.O. Box 83, Alkharj 11942, Saudi Arabia;2. Prince Sattam Bin Abdulaziz University, College of Science and Humanity Studies, Department of Physics, P.O. Box 83, Alkharj 11942, Saudi Arabia;3. CNRS, Univ. Bordeaux, ICMCB, UPR 9048, 87, Avenue du Docteur Schweitzer, F-33600 Pessac, France;4. King Abdulaziz City for Science and Technology, Riyadh, Saudi Arabia;5. Prince Sattam bin Abdulaziz University, College of Pharmacy, P.O. Box 173, Alkharj 11942, Saudi Arabia;1. State Key Laboratory for Mesoscopic Physics and Frontiers Science Center for Nano-Optoelectronics, School of Physics, Peking University, Beijing 100871, China;2. Shanghai Synchrotron Radiation Facility (SSRF), Zhangjiang Laboratory, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201204, China;3. University of Chinese Academy of Sciences, Beijing 100049, China;4. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China;5. Peking University Yangtze Delta Institute of Optoelectronics, Nantong 226010, Jiangsu, China;6. Collaborative Innovation Center of Quantum Matter, Beijing 100084, China |
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| Abstract: | Organic–inorganic hybrid material of formula (C4H3SC2H4NH3)2PbI4] was synthesized and studied by X-ray diffraction, Infrared absorption, Raman scattering, UV–Visible absorption and photoluminescence measurements. The molecule crystallizes as an organic–inorganic two-dimensional (2D) structure built up from infinite PbI6 octahedra surrounded by organic cations. Such a structure may be regarded as quantum wells system in which the inorganic layers act as semiconductor wells and the organic cations act as insulator barriers. Room temperature IR and Raman spectra were recorded in the 520–3500 and 10–3500 cm−1 frequency range, respectively. Optical absorption measurements performed on thin films of (C4H3SC2H4NH3)2PbI4] revealed three distinct bands at 2.4, 2.66 and 3.25 eV. We also report DFT calculations of the electric dipole moments (μ), polarizability (α), the static first hyperpolarizability (β) and HOMO–LUMO analysis of the title compound investigated by GAUSSIAN 09 package. The calculated static first Hyperpolarizability is equal to 11.46 × 10−31 esu. |
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| Keywords: | X-ray diffraction Infrared absorption Raman UV–visible DFT |
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