Tag Archives: Metal-Organic Frameworks

Lecture about topology

Topology concepts and the deconstruction of MOFs into their underlying nets

Two weeks ago I gave a talk at a nice little workshop about “Structure and Topology – at the heart of MOF chemistry”, which was organized by the Technical University of Munich and was held in the framework of the priority programme COORNETs of the German Research Foundation DFG, initiated by Prof. Roland A. Fischer.

I decided to make a screen-cast of it. It is now available on YouTube:

 

 

 

#215

#215

P-43m

Example – Co3L2(tpt)2

tpt = 2,4,6-Tris(4-pyridyl)-1,3,5-triazine
L = 2,4,6-Tris[1-(3-carboxylphenoxy)ylmethyl]mesitylene

A Mixed Molecular Building Block Strategy for the Design of Nested Polyhedron Metal–Organic Frameworks

D. Tian, Q. Chen, Y. Li, Y.-H. Zhang, Z. Chang, X.-H. Bu
Angew. Chem. Int. Ed. (2014), 53, 837

 

CIF
http://1drv.ms/1sqOKtx

Co3L2(tpt)2

 

Co (dark blue)
C (black)
O (red)
N (blue)
H (white)

 

3D rotatable model of Co3L2(tpt)2

#209

#209

F432

Example – PCN-20

A Large-Surface-Area Boracite-Network-Topology Porous MOF Constructed from a Conjugated Ligand Exhibiting a High Hydrogen Uptake Capacity

X.-S. Wang, S. Ma, D. Yuan, J.W. Yoon, Y.K. Hwang, J.-S. Chang, X. Wang, M.R.Jorgensen, Y.-S. Chen, H.-C. Zhou
Inorg.Chem. (2009), 48, 7519

 

CIF
http://1drv.ms/1mBQIYt

PCN-20

 

Cu (blue)
O (red)
C (black)
H (white)

 

3D rotatable model of PCN-20

#180

#180

P6222

Example – Rhabdophane-(Ce), (Ce,La)PO4 • H2O

Named from the Greek, “rod” and “to appear”, in allusion to the characteristic bands shown in its spectrum.

X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification

Mooney R C L ,
Acta Crystallographica, 3 (1950) p.337-340

http://www.webmineral.com/data/Rhabdophane-(Ce).shtml

CIF
http://rruff.geo.arizona.edu/AMS/download.php?id=10084.cif&down=cif

Rhabdophane-(Ce)

CeO8 polyhedra (green)
PO4 tetrahedra (orange)

 

3D rotatable model of (Ce,La)PO4 • H2O

#179

#179

P6522

Example – LaBTB (BTB = 1,3,5-tris(4-carboxyphenyl benzene)

Breathing Effects of CO2 Adsorption on a Flexible 3D Lanthanide Metal-Organic Framework

Bin Mu, Feng Li, Yougui Huang, K.Walton
J. Mater. Chem., 2012, 22, 10172-10178

CIF
https://www.dropbox.com/s/3dvpw7sw3hcdj0y/CCDC853237.cif

LaBTB

LaO8 polyhedra (green)
C (black)
H (white)
O (red)

 

3D rotatable model of LaBTB

#166

#166

R-3m

Example – PCN-6, Cu3(tatb)2tatb = 4,4′,4”-s-triazine-2,4,6-triyltribenzoate

An Interweaving MOF with High Hydrogen Uptake

Daofeng Sun , Shengqian Ma , Yanxiong Ke , David J. Collins , and Hong-Cai Zhou
J. Am. Chem. Soc., 2006, 128 (12), pp 3896–3897

 

CIF
http://pubs.acs.org/doi/suppl/10.1021/ja058777l/suppl_file/ja058777lsi20060215_055121.cif

PCN-6_b 

 

3D rotatable model of PCN-6

#94

#94

P42212

Example – Zn2(L) • 4 H2O, L = 4,4‘-bipyridine-2,6,2‘,6‘-tetracarboxylic acid

A Porous Framework Polymer Based on a Zinc(II) 4,4‘-Bipyridine-2,6,2‘,6‘-tetracarboxylate: Synthesis, Structure, and “Zeolite-Like” Behaviors

X. Lin, A.J. Blake, C. Wilson, X. Zhong Sun, N.R. Champness, M.W. George, P. Hubberstey, R. Mokaya, and M. Schröder
J. Am. Chem. Soc., 2006, 128 (33), pp 10745–10753

CIF
http://pubs.acs.org/doi/suppl/10.1021/ja060946uja060946usi20060215_033141.cif

Zn2L-bipy_tetracarboxylat

 

3D rotatable model of Zn2(L) • 4 H2O

Chapter 6 starts today!

Dear Students,

in this week we will introduce a very special class of crystalline materials, which are called Metal-Organic Frameworks or short MOFs. Research interest in this kind of materials has intensified immensely over the last decade. As MOFs are also the field of study of our research group, telling you something about these very special crystals is a matter of heart for us.

MOFs are comprised of inorganic and organic secondary building units. We will take a look at different variations of how these secondary building units can be assembled together and we will introduce the principles of classification of these network-like assemblies.

We provide several crystal structures of MOFs as VESTA files, in order for you to be able to get familiar with the structural features of MOFs at the atomic level. (You can find a tutorial on how to obtain and install VESTA in Unit 2.7)

At the end of this chapter we will be prepared for the next week, in which we will introduce software (called TOPOS and Systre) that allows investigating, determining and classifying the topology of Metal-Organic Frameworks in a systematic way, i.e. to answer the question what are the underlying nets (= linked vertices) and how can we precisely describe them?

Enjoy the beauty of porous crystals!
Michael and Frank

Announcement_maze_chapter_6