I want to know how I can find a specific structure of metal organic frameworks?
I need a molecular structure of Ag-BTC MOF.
How can I get it?
Can anyone help me on this?
A MOF is not a molecule, so you can't get a "molecular structure", but I understand you meant the crystal structure of that MOF. Of course single crystal (but also powder) diffraction may return you the structure.
A AgBTC MOF does not exist (apparently), whereas its Cu analogous is very well known (HKUST-1). Thus, Ag may be isomorphous with Cu (in this case a powder XRD would b enough) or not. If by chance someone has already prepared and measured it, then it would be listed in databases like Cambridge or others (and the cif file would be freely available).
Anyway, XRD is not the only technique to determine crystal structures. Other diffraction techniques are neutrons or electrons (here stability may be an issue). Or otherwise solid state NMR (here complicated by the magnetism).
A MOF is not a molecule, so you can't get a "molecular structure", but I understand you meant the crystal structure of that MOF. Of course single crystal (but also powder) diffraction may return you the structure.
A AgBTC MOF does not exist (apparently), whereas its Cu analogous is very well known (HKUST-1). Thus, Ag may be isomorphous with Cu (in this case a powder XRD would b enough) or not. If by chance someone has already prepared and measured it, then it would be listed in databases like Cambridge or others (and the cif file would be freely available).
Anyway, XRD is not the only technique to determine crystal structures. Other diffraction techniques are neutrons or electrons (here stability may be an issue). Or otherwise solid state NMR (here complicated by the magnetism).
To find crystal structure of any MOF, which is already reported in literature, CSD database from CCDC required. Conquest can be used to draw the structure of components of MOF to check any existing structure.
1) The simulated PXRD pattern of all the possible combination of components in the system can be compared with the experiential data of your compound. This can help you to have some idea about the structure
2) If you are trying to replicate MOF using metal B (let's say) rather than earlier reported using metal (A). Comparison of PXRD pattern can help you to proceed with further application or studies
Dear Azim Sayadli
Please have a look at this article
DOI: 10.1039/C6CS00533K
Regards
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