Infiltration of Single-Ion Magnets into Metal-Organic Frameworks for Controlled Nanostructuration: Translation of Density Functional Theory to the Experiment

被引：0
|
作者：
Joy, Monu [1 ]
Huang, Junjie [2 ]
Dunbar, Kim R. [2 ]
Wriedt, Mario [1 ]
机构：
[1] Clarkson Univ, Potsdam, NY USA
[2] Texas A&M Univ, Dept Chem, College Stn, TX USA
来源：
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2022年 / 78卷
关键词：
D O I：
10.1107/S205327332209982X
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：A17 / A17
页数：1
相关论文
共 50 条
  • [11] Sequestration of Radionuclides in Metal-Organic Frameworks from Density Functional Theory Calculations
    Pandey, Shubham
    Jia, Zhilin
    Demaske, Brian
    Ejegbavwo, Otega A.
    Setyawan, Wahyu
    Henager, Charles H., Jr.
    Shustova, Natalia
    Phillpot, Simon R.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 123 (44): : 26842 - 26855
  • [12] Detecting Lewis acid sites in metal-organic frameworks by density functional theory
    Lawrence, Arputham Shophia
    Sivakumar, Balasubramanian
    Dhakshinamoorthy, Amarajothi
    MOLECULAR CATALYSIS, 2022, 517
  • [13] Vapor-Phase Cyclohexene Epoxidation by Single-Ion Fe(III) Sites in Metal-Organic Frameworks
    Otake, Ken-ichi
    Ahn, Sol
    Knapp, Julia
    Hupp, Joseph T.
    Notestein, Justin M.
    Farha, Omar K.
    INORGANIC CHEMISTRY, 2021, 60 (04) : 2457 - 2463
  • [14] Metal-Organic Frameworks as Playgrounds for Reticulate Single-Molecule Magnets
    Kalinke, Lucas H. G.
    Cangussu, Danielle
    Mon, Marta
    Bruno, Rosaria
    Tiburcio, Estefania
    Lloret, Francesc
    Armentano, Donatella
    Pardo, Emilio
    Ferrando-Soria, Jesus
    INORGANIC CHEMISTRY, 2019, 58 (21) : 14498 - 14506
  • [15] INVESTIGATING DENSITY FUNCTIONAL THEORY'S EFFECTIVENESS IN STUDYING METAL-ORGANIC FRAMEWORKS STRUCTURES
    Roberts, Kendric
    Han, Yen-Lin
    PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION - 2019, VOL 12: ADVANCED MATERIALS: DESIGN, PROCESSING, CHARACTERIZATION, AND APPLICATIONS, 2020,
  • [16] Characterization of Lewis Acid Sites in Metal-Organic Frameworks Using Density Functional Theory
    Liu, Dahuan
    Zhong, Chongli
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2010, 1 (01): : 97 - 101
  • [17] Modelling photophysical properties of metal-organic frameworks: a density functional theory based approach
    Wilbraham, Liam
    Coudert, Francois-Xavier
    Ciofini, Ilaria
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (36) : 25176 - 25182
  • [18] Recent trends on density functional theory-assisted calculations of structures and properties of metal-organic frameworks and metal-organic frameworks-derived nanocarbons
    Kharissova, Oxana V.
    Kharisov, Boris I.
    Gonzalez, Lucy T.
    JOURNAL OF MATERIALS RESEARCH, 2020, 35 (11) : 1424 - 1438
  • [19] Single-chain magnets assembled in cobalt(ii) metal-organic frameworks
    Wang, Mengmeng
    Gou, Xiaoshuang
    Shi, Wei
    Cheng, Peng
    CHEMICAL COMMUNICATIONS, 2019, 55 (74) : 11000 - 11012
  • [20] Understanding of Metal-Organic Frameworks through Mechanochemistry: From Experiment to Theory
    Friscic, Tomislav
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018, 74 : A422 - A422
12345