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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.

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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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  • $\begingroup$ I think you missed graphite. $\endgroup$
    – LDC3
    Apr 26 '14 at 14:55
  • $\begingroup$ "simulate chain of molecules" Graphite is 2-D planar not 1-D chain. I think you missed h-BN, MgB2, zirconium phosphonates, smectite clays, micas, FeO(OH), FeCl2, heavy metal dichalcogenides...Langmuir-Blodgett depositions...DOI:10.1039/C001929A, chemistry.aalto.fi/en/research/groups/inorganic_chemistry etc. $\endgroup$
    – Uncle Al
    Apr 26 '14 at 15:45

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