Friday, 20 March 2015

polymers - Modelling planar molecules and their evolutions


I am trying to simulate a chain of molecules which are planar.


Can anyone please give me an example of the molecular chain which can stay as planar with it's minimum energy state is planar. A published study on the evolution of the geometry of the molecule will be highly helpful.




Answer



One-dimensional Fabre and Bechgaard salts, TTF-TCNQ,


enter image description here


http://www.chem.tamu.edu/rgroup/dunbar/Publications/2002-147.pdf
platinum blues


DOI:10.1002/asia.200700370
hexaphenylbenzene discotic liquid crystals
http://www.crcpress.com/product/isbn/9781439811436
"Chemistry of Discotic Liquid Crystals: From Monomers to Polymers," Sandeep Kumar (2010)


http://link.springer.com/chapter/10.1007/978-94-017-2319-0_16

middle
http://physics.aps.org/synopsis-for/10.1103/PhysRevB.82.180401
Organic magnets


http://pubs.acs.org/cen/topstory/8201/8201notw8.html
Ladderanes


Ladderanes


stacks
http://www.google.com/patents/WO2011017711A2?cl=en
http://www.halcyon.com/nanojbl/Images/ConPoly3.gif
and a central hexacoordinate silicon with oxygen bridges



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