Questions tagged [supramolecular-chemistry]

The supramolecular chemistry tag should be applied to questions pertaining to supramolecular systems, both natural (e.g. biological systems with supramolecular behaviour) and artificial (e.g. man made structures such as molecular knots/machines).

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How to find the global minima of a supramolecular complex in computational chemistry?

So this is more of a complex problem, and my masters thesis could greatly benefit if I find an answer to this. Essentially, I have a supramolecular inclusion complex. There is this molecule A (the ...
VASUDEVAN K 's user avatar
-1 votes
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Difference between allosteric and chelate cooperativity

As the title suggests, i'm trying to wrap my head around what differentiates an allosteric cooperativity from a chelate cooperativity by looking into this article. However i'm not able to grasp the ...
dvd's user avatar
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How does 81-crown-27 complexes itself with alkali metal with its size?

The biggest crown ether experimentally confirmed is 81-crown-27 1 How can this molecule form complexes when the distance between the 27 oxygen atoms which complexes with the cation inside seems ...
Evamentality's user avatar
2 votes
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Association constant calculation in 3:1 complexes

I have a question about calculating the association constant related to 3:1 host-guest complexes. I am using the UV-vis titration method, I know the stoichiometry from the molar fraction method which ...
Sunita's user avatar
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Is there anything like "Saturated Fullerene"?

This question arose from my previous question: Can benzyne be trapped inside a polycyclic hydrocarbon?. While dodecahedrane was too small to fit an anthranilate ion or even a benzyne ion, there are ...
Pritt says Reinstate Monica's user avatar
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Can benzyne be trapped inside a polycyclic hydrocarbon?

I came across an article in my organic chemistry textbook, which told about how benzyne was trapped within a molecular container and stabilized for short periods of time before undergoing a Diels-...
Pritt says Reinstate Monica's user avatar
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Enantiomers in anisotropic achiral chemical environments

Consider a functionalised molecular box or cage which has an electrostatic gradient due to positively charged groups one one of its faces. This environment is achiral as there are reflection ...
Secret's user avatar
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How far has "self-organizing chemistry" gone? [closed]

This is my first question here so, please, bear with me if I go out of the style or the scope of the SE section. I think I am quite new here, so I am prone to make mistakes. I am a molecular ...
Yordan Yordanov's user avatar
6 votes
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How are atoms encapsulated in buckminsterfullerene molecules?

According to, buckminsterfullerene molecules (bucky balls) can be formed by vaporizing graphite by saturating it with laser irradiation. I haven't entirely understood why the carbon forms ...
anonymous2's user avatar
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Nomenclature of catenanes and rotaxanes

Looking at the IUPAC Blue Book, I noticed that the words “catenane”, “rotaxane” (or “interlocked”, “mechanical bond”, …) do not appear within the rules of nomenclature. Given that a catenane or ...
F'x's user avatar
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15 votes
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Molecular knots absolute configuration

How is the absolute configuration of chiral molecular knots determined? What rules should be applied? For centrochiral compounds, the CIP rules are applied, for axially chiral is described here and ...
EJC's user avatar
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24 votes
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Interlocked cyclic compounds

Being new to chemistry, there may ought to be some properties I couldn't understand fully. One of them being cyclic compounds. One particular question about this is, whether these cyclic compounds, ...
čaritisio's user avatar
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Catenane optical activity

Would a [2]catenate whose each ring consist of a different number of methylene groups only, be optically active if one hydrogen atom of a random methylene group is replaced with e.g. chlorine? I think ...
EJC's user avatar
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