Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

Damian Nieckarz; Paweł Szabelski

doi:10.1039/C8CC04272A

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Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations†

Damian Nieckarz^a and Paweł Szabelski

*^a

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^a Department of Theoretical Chemistry, Maria Curie-Skłodowska University, Pl. M.C. Skłodowskiej 3, Lublin 20-031, Poland
E-mail: szabla@vega.umcs.lublin.pl

Abstract

Monte Carlo simulations were used to decipher the individual role of tripod molecular conformers in the surface-confined metal–organic self-assembly. Our calculations revealed the extent of structural heterogeneity introduced by the different conformers.

This article is part of the themed collection: Scanning probe frontiers in molecular 2D-architecture world

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Article information

DOI: https://doi.org/10.1039/C8CC04272A
Article type: Communication
Submitted: 29 May 2018
Accepted: 16 Jul 2018
First published: 16 Jul 2018

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Chem. Commun., 2018,54, 8749-8752

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Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

D. Nieckarz and P. Szabelski, Chem. Commun., 2018, 54, 8749 DOI: 10.1039/C8CC04272A

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Chemical Communications

Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations†

Abstract

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Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

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