N8 molecule
I once read about N8 cube molecule. Calculations predicted its existence, but was it already synthesized? I can't find enough data on the Internet, but I would like to use it as an example in my assignment.
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Original post by Prested
I once read about N8 cube molecule. Calculations predicted its existence, but was it already synthesized? I can't find enough data on the Internet, but I would like to use it as an example in my assignment.
The molecule you're referring to is called octaazacubane. I've done a journal search and can only find references to theoretical studies of it and no actual syntheses. The expectation that it would make an extremely powerful explosive might be putting some people off....
Original post by Prested
Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear. 
I think that's what the fullerenes nobel prize was awarded for (predicted then later found in nature)
Original post by BJack
The expectation that it would make an extremely powerful explosive might be putting some people off....
I am sure it puts some other people on
Original post by Prested
Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear.
To keep with the explosive theme: http://en.wikipedia.org/wiki/Octanitrocubane
Original post by Prested
Thank you for the answer, That's what I was looking for. I'll still need to look for an example of molecule/compound that was predicted using theoretical chemistry and then synthesized though. Nevertheless, thanks for making this clear.
If you count computational calculations, modelling enzyme active sites will predict the size and shape of any inhibitor that can be synthesised. It's relatively new, so there may not be much around, but may be worth taking a peek into
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