Classifying atomic chains in Amorphous Structures

[Ninnec]

TL;DR Summary

I am trying to characterize chains of different length found in amorphous structures. I right now trying to characterize them in two different ways. The first one is how kinky or complex the chain is. The other way is to identify if this is a three dimensional, two dimensional structure. For example a chain that is a straight is a one dimensional structure. I do realize these are vague metrics/questions, I am just trying to come up with a few ideas to test. Thanks for all the help

Here are two examples of chains. The end pairs of atoms are 8.0 angstroms and 9.2 angstroms apart respectively.

 

[eljose79]

Thank you for sharing these examples of chains! I am always interested in exploring the structure and properties of different molecules. The fact that the end pairs of atoms in these chains are 8.0 and 9.2 angstroms apart raises some interesting questions.

Firstly, the distance between the end pairs of atoms can give us some insight into the length of the chain. Typically, a single bond between two carbon atoms is around 1.5 angstroms long. This means that the first chain is approximately 5 carbon atoms long (8.0 angstroms / 1.5 angstroms per bond). The second chain is slightly longer, at around 6 carbon atoms.

Additionally, the distance between the end pairs of atoms can also give us some information about the type of bond connecting them. For example, a double bond between two carbon atoms is around 1.3 angstroms long, while a triple bond is around 1.2 angstroms long. By measuring the distance between the end pairs of atoms, we can determine if the bonds in these chains are single, double, or triple bonds.

Further investigation into these chains, such as determining the identity of the atoms and the overall structure, would provide even more valuable information. Thank you for sparking my curiosity and giving me something to ponder.