Theoretically, I m going to bind perylene dicarboxylic anhydride on TiO2 cluster/slab. Here the problem is perylene molecule have two carboxylic groups (after breaking of anhydride) . And which cluster will be the best one among the other clusters for the molecules having two carboxylic groups. Discuss with me or send any reference papers regarding this. I am looking forward.
Here with i have attached the molecule and one paper which will tell about binding of carboxy acid to TiO2. (This is a model paper only)
Dear Karuppusamy,
everything depends on meaning of word "attach". If you mean just to make a thin physisorbed layered of perylene anhydride (probably you mean PTCDA), you can just follow the vacuum deposition technology developed by Stephan Forrest in mid90-20.
The UHV and T~500C is your recipe and this will work on TiO2 and on any other oxide substrate,
If you would like to make a chemical bond between TiO2 and PTCDA, you can use an Molecular Layer Epitaxy method, which I and Dr Yitzchaik develop in mid20. You can find a pdf of application of this method for NTCDA for a lower temperature on my page on researchgate, I have few papers.
the short recipe:
1) self assemble the 3-amino- metoxysiloxane on TiO2 substrate
2) place those substrates to CVD like system (you have to have a laminar flow CVD chamber)
3) Evaporate PTCDA, while keeping the substrate temperature around 400-500C.
The trick is that anhydride group of PTCDA will react with amine of methoxysilane to produce a strong imide bond
good luck
vb
Dear Vladimir sir,
Thank you very much for worthful discussion sir. Sorry to say this.. I am basically a theoretician.
Theoretically how can i bind/attach perylene dicarboxylic anhydride to TiO2 cluster/slab.
For ur references i have attached the molecule
sure the question still the same what do you mean by word "attached", you probably have to consult the experimental group. if you are making physisorbtion on TiO2, than the film is attached by mixing (hybridization) of 12 electrons in aromatic PTCDA shell with TiO2 surface states; if you are making an imide bond (chemisobtion) it is completely different story
I am not aware about any chemistry that can produce such bonding of PTCDA. and what this figure have to do with bonding to TiO2. Unfortunately in this setting your question did not make any sense to my, sorry!
Hi there,
Your question not clear enough. Ok, if you mean the fcc 101 cluster it should be understand the best active site " Best orientation for enhancement of lower binding energy to form linkage between them". I am ready to help you in this project, especially, I worked on it in earlier time.
Regards,
Qhatan
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