N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering

2001 ◽  
Vol 40 (7) ◽  
pp. 1445-1453 ◽  
Author(s):  
Patrick C. McGowan ◽  
Thomas J. Podesta ◽  
Mark Thornton-Pett
Keyword(s):  
Crystal Engineering ◽  
Building Blocks ◽  
Inorganic Crystal

ChemInform Abstract: Inorganic Crystal Engineering Using Self-Assembly of Tailored Building-Blocks

ChemInform ◽  
2010 ◽  
Vol 30 (24) ◽  
pp. no-no
Author(s):  
Alexander J. Blake ◽  
Neil R. Champness ◽  
Peter Hubberstey ◽  
Wan-Sheung Li ◽  
Matthew A. Withersby ◽  
...  
Keyword(s):  
Crystal Engineering ◽  
Self Assembly ◽  
Building Blocks ◽  
Inorganic Crystal

Inorganic crystal engineering using self-assembly of tailored building-blocks

1999 ◽  
Vol 183 (1) ◽  
pp. 117-138 ◽  
Author(s):  
Alexander J. Blake ◽  
Neil R. Champness ◽  
Peter Hubberstey ◽  
Wan-Sheung Li ◽  
Matthew A. Withersby ◽  
...  
Keyword(s):  
Crystal Engineering ◽  
Self Assembly ◽  
Building Blocks ◽  
Inorganic Crystal

Robust building blocks for inorganic crystal engineering

2006 ◽  
Vol 359 (4) ◽  
pp. 1255-1262 ◽  
Author(s):  
Christer B. Aakeröy ◽  
John Desper ◽  
Brock Levin ◽  
Jesús Valdés-Martínez
Keyword(s):  
Crystal Engineering ◽  
Building Blocks ◽  
Inorganic Crystal

Hierarchy of Supramolecular Arrangements and Building Blocks: Inverted Paradigm of Crystal Engineering in the Unprecedented Metal Coordination of Methylene Blue

2017 ◽  
Vol 56 (6) ◽  
pp. 3512-3516 ◽  
Author(s):  
Stefano Canossa ◽  
Alessia Bacchi ◽  
Claudia Graiff ◽  
Paolo Pelagatti ◽  
Giovanni Predieri ◽  
...  
Keyword(s):  
Methylene Blue ◽  
Crystal Engineering ◽  
Building Blocks ◽  
Metal Coordination ◽  
Supramolecular Arrangements

A threefold interpenetrated two-dimensional zinc(II) supramolecular architecture based on 3-nitrobenzoic acid and 4,4′-bipyridine

2016 ◽  
Vol 72 (2) ◽  
pp. 128-132 ◽  
Author(s):  
Long Tang ◽  
Ji-Jiang Wang ◽  
Feng Fu ◽  
Sheng-Wen Wang ◽  
Qi-Rui Liu
Keyword(s):  
Coordination Polymers ◽  
Crystal Engineering ◽  
Critical Factor ◽  
Building Blocks ◽  
Zigzag Chain ◽  
Great Success ◽  
Supramolecular Architecture ◽  
Two Dimensional ◽  
Hydrothermal Conditions ◽  
Nitrobenzoic Acid

With regard to crystal engineering, building block or modular assembly methodologies have shown great success in the design and construction of metal–organic coordination polymers. The critical factor for the construction of coordination polymers is the rational choice of the organic building blocks and the metal centre. The reaction of Zn(OAc)2·2H2O (OAc is acetate) with 3-nitrobenzoic acid (HNBA) and 4,4′-bipyridine (4,4′-bipy) under hydrothermal conditions produced a two-dimensional zinc(II) supramolecular architecture,catena-poly[[bis(3-nitrobenzoato-κ2O,O′)zinc(II)]-μ-4,4′-bipyridine-κ2N:N′], [Zn(C7H4NO4)2(C10H8N2)]nor [Zn(NBA)2(4,4′-bipy)]n, which was characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction analysis. The ZnIIions are connected by the 4,4′-bipy ligands to form a one-dimensional zigzag chain and the chains are decorated with anionic NBA ligands which interact further through aromatic π–π stacking interactions, expanding the structure into a threefold interpenetrated two-dimensional supramolecular architecture. The solid-state fluorescence analysis indicates a slight blue shift compared with pure 4,4′-bipyridine and HNBA.

scholarly journals Towards computer-guided tuning of the crystal packing of porous organic cages

2014 ◽  
Vol 70 (a1) ◽  
pp. C667-C667
Author(s):  
Angeles Pulido ◽  
Ming Liu ◽  
Paul Reiss ◽  
Anna Slater ◽  
Sam Chong ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Engineering ◽  
Molecular Sieves ◽  
Structure Prediction ◽  
Crystal Packing ◽  
Aromatic Aldehydes ◽  
Lattice Energy ◽  
Building Blocks ◽  
Molecular Assembly ◽  
Computational Techniques

Among microporous materials, there has been an increasing recent interest in porous organic cage (POC) crystals, which can display permanent intrinsic (molecular) and extrinsic (crystal network) porosity. These materials can be used as molecular sieves for gas separation and potential applications as enzyme mimics have been suggested since they exhibit structural response toward guest molecules[1]. Small structural modifications of the initial building blocks of the porous organic molecules can lead to quite different molecular assembly[1]. Moreover, the crystal packing of POCs is based on weak molecular interactions and is less predictable that other porous materials such as MOFs or zeolites.[2] In this contribution, we show that computational techniques -molecular conformational searches and crystal structure prediction- can be successfully used to understand POC crystal packing preferences. Computational results will be presented for a series of closely related tetrahedral imine- and amine-linked porous molecules, formed by [4+6] condensation of aromatic aldehydes and cyclohexyl linked diamines. While the basic cage is known to have one strongly preferred crystal structure, the presence of small alkyl groups on the POC modifies its crystal packing preferences, leading to extensive polymorphism. Calculations were able to successfully identify these trends as well as to predict the structures obtained experimentally, demonstrating the potential for computational pre-screening in the design of POCs within targeted crystal structures. Moreover, the need of accurate molecular (ab initio calculations) and crystal (based on atom-atom potential lattice energy minimization) modelling for computer-guided crystal engineering will be discussed.

Directional control of π-stacked building blocks for crystal engineering: the 1,8-naphthalimide synthon

2005 ◽  
pp. 4068 ◽  
Author(s):  
Daniel L. Reger ◽  
J. Derek Elgin ◽  
Radu F. Semeniuc ◽  
Perry J. Pellechia ◽  
Mark D. Smith
Keyword(s):  
Crystal Engineering ◽  
Building Blocks ◽  
Directional Control
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