Electron density building block approach for metal organic frameworks
نویسندگان
چکیده
منابع مشابه
Control over catenation in metal-organic frameworks via rational design of the organic building block.
Metal-organic frameworks (MOFs), a hybrid class of materials comprising inorganic nodes and organic struts, have potential application in many areas due to their high surface areas and uniform pores and channels. One of the key challenges to be overcome in MOF synthesis is the strong propensity for catenation (growth of multiple independent networks within a given crystal), as catenation reduce...
متن کاملBeyond post-synthesis modification: evolution of metal-organic frameworks via building block replacement.
Metal-organic frameworks (MOFs) are hybrid porous materials with many potential applications, which intimately depend on the presence of chemical functionality either at the organic linkers and/or at the metal nodes. Functionality that cannot be introduced into MOFs directly via de novo syntheses can be accessed through post-synthesis modification (PSM) on the reactive moieties of the linkers a...
متن کاملStructures of Metal-Organic Frameworks with Rod Secondary Building Units.
Rod MOFs are metal-organic frameworks in which the metal-containing secondary building units consist of infinite rods of linked metal-centered polyhedra. For such materials, we identify the points of extension, often atoms, which define the interface between the organic and inorganic components of the structure. The pattern of points of extension defines a shape such as a helix, ladder, helical...
متن کاملBenzotrithiophene--a planar, electron-rich building block for organic semiconductors.
Several functionalized benzo[1,2-b:3,4-b':5,6-d'']trithiophenes have been synthesized and characterized. The fully planar and highly electron-rich material shows great promise as the donor constituent in donor-acceptor type copolymers for use in organic electronics. As a proof of concept, a copolymer with the electron acceptor, 2,1,3-benzothiadiazole, has been prepared. Side-chain modifications...
متن کاملDistinguishing Metal–Organic Frameworks
We consider two metal-organic frameworks as identical if they share the same bond network respecting the atom types. An algorithm is presented that decides whether two metal-organic frameworks are the same. It is based on distinguishing structures by comparing a set of descriptors that is obtained from the bond network. We demonstrate our algorithm by analyzing the CoRe MOF database of DFT opti...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physica Scripta
سال: 2013
ISSN: 0031-8949,1402-4896
DOI: 10.1088/0031-8949/87/04/048105