Decoding chirality in circuit topology of a self entangled chain through braiding

TL;DR

This paper introduces a braid-theoretic framework to analyze chirality in molecular knots constructed via circuit topology, using the Jones polynomial to quantify and design chiral properties for applications in materials science.

Contribution

It translates circuit topology into a braid-theoretic approach, enabling calculation of the Jones polynomial for analyzing molecular knot chirality.

Findings

Jones polynomial effectively characterizes chirality in circuit topology knots.

Polynomial factorizes for series and parallel relations, simplifying analysis.

Framework aids in designing entangled chains with specific chiral properties.

Abstract

Circuit topology employs fundamental units of entanglement, known as soft contacts, for constructing knots from the bottom up, utilising circuit topology relations, namely parallel, series, cross, and concerted relations. In this article, we further develop this approach to facilitate the analysis of chirality, which is a significant quantity in polymer chemistry. To achieve this, we translate the circuit topology approach to knot engineering into a braid-theoretic framework. This enables us to calculate the Jones polynomial for all possible binary combinations of contacts in cross or concerted relations and to show that, for series and parallel relations, the polynomial factorises. Our results demonstrate that the Jones polynomial provides a powerful tool for analysing the chirality of molecular knots constructed using circuit topology. The framework presented here can be used to design and engineer a wide range of entangled chain with desired chiral properties, with potential applications in fields such as materials science and nanotechnology.