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Chemical Reviews最新综述：分子筛结构的新故事
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New Stories of Zeolite Structures: Their Descriptions, Determinations, Predictions, and Evaluations 共49页 引文514篇 Yi Li and Jihong Yu* State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Qianjin Street 2699,Changchun 130012, China Zeolites are an important class of inorganic crystalline materials that have been widely used in the fi elds of petroleum re fi ning, petrochemical industry, and fi ne chemical industry, as catalysts, adsorbents, and ion-exchangers.The frameworks of zeolites possess orderly distributed micropores with diameters typically less than 2 nm. In comparison with those of other microporous materials, a zeolite framework is built exclusively from TO 4 tetrahedra (T denotes tetrahedrally coordinated Si, Al, or P, etc.). Each TO 4 tetrahedron is connected with four neighbors by sharing their vertex O atoms, forming the three-dimensional four-connected zeolite framework. Although all zeolites are constructed from TO 4 tetrahedra, the di ff erent ways in which they can be connected lead to the rich variety of zeolite structures. CONTENTS 1. Introduction B 2. Structure Description B 2.1. Basic De fi nitions C 2.1.1. Framework Type Code C 2.1.2. The Idealized Framework C 2.1.3. Framework Density (FD) C 2.1.4. Coordination Sequences and Vertex Symbols C 2.1.5. Ring C 2.1.6. Cage and Cavity C 2.1.7. Channel C 2.1.8. E ff ective Channel Width C 2.1.9. Building Unit C 2.1.10. The Largest Included Sphere and the Largest Free Sphere C 2.1.11. Available, Occupiable, and Accessible Pores C 2.2. New Descriptors C 2.2.1. Hard Sphere Packing C 2.2.2. Ring Index E 2.2.3. Natural Building Unit E 2.2.4. T-Ring Graph F 2.2.5. Packing Unit G 2.2.6. Information-Based Topological Complexity H 2.2.7. Voronoi Hologram H 2.2.8. Pore Size Distribution Histogram and Ray-Trace Histogram J 2.3. New Methods for the Calculation of Pores K 2.3.1. The Grid-Based Approaches K 2.3.2. ZEOMICS L 2.3.3. Zeo++ M 2.4. Future Development M 3. New Structures N 3.1. Structures with Unprecedented Pore-Openings N 3.1.1. JU-64 (JSR) N 3.1.2. ITQ-40 ( − IRY) N 3.1.3. ITQ-51 (IFO) O 3.1.4. ITQ-44 (IRR) O 3.1.5. ITQ-43 P 3.1.6. ITQ-37 ( − ITV) P 3.2. Structures with Unprecedented Complexity P 3.2.1. SSZ-74 ( − SVR) Q 3.2.2. SSZ-31 ( * STO) R 3.2.3. ITQ-39 R 3.2.4. SSZ-57 ( * SFV) R 3.3. Structures with Intrinsically Chiral Frameworks R 3.3.1. SU-32 (STW) S 3.3.2. CJ-40 (JRY) T 3.3.3. Linde J (LTJ) T 3.4. Structures with 3-Rings U 3.4.1. CJ-63 (JST) U 3.4.2. PKU-9 (PUN) U 3.4.3. Oxonitridophosphate-2 (NPT) U 3.4.4. Be-10 (BOZ) V 3.5. Future Development V 4. Structure Determination X 4.1. X-ray Crystallography X 4.1.1. FOCUS Y 4.1.2. Charge-Flipping Y 4.2. Electron Crystallography Z 4.2.1. High-Resolution Transmission Electron Microscopy AA 4.2.2. Electron Di ff raction AB 4.3. Computer-Aided Model-Building AC 4.3.1. ZEFSA II AC 4.3.2. FraGen AD 4.4. Future Development AE 5. Structure Prediction AE 5.1. A Short History AF 5.2. Recent Progress in ZSP AF 5.2.1. SCIBS and the Atlas of Prospective Zeolite Structures AF 5.2.2. ZEFSA II and the Database of Hypothetical Structures AG 5.2.3. GRINSP and the Predicted Crystallography Open Database AH 5.2.4. FraGen and the Hypothetical Zeolite Database AH 5.2.5. ZSP Using GPGPU Programming AI 5.3. Future Development AI 5.3.1. Maddox ’ s “ Continuing Scandal ” AI 5.3.2. Hypothetical Zeolite Databases AI 5.3.3. Function-Oriented ZSP AJ 6. Feasibility of Zeolite Structures AJ 6.1. The Feasibility of Low-FD Zeolites without 3 Rings AJ 6.2. The Feasibility of Zeolites with Unconventional Framework Elements AK 6.3. The Flexibility of Zeolite Frameworks AL 6.4. The Packing Unit Model AM 6.5. Local Interatomic Distances AM 6.6. Future Development AN 7. Concluding Remarks AO Author Information AP Corresponding Author AP Notes AP Biographies AP Acknowledgments AP References AP  |
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