Fig. 1: Langmuir–Blodgett experiments and thin film formation of decacyclene. | Nature Communications

Fig. 1: Langmuir–Blodgett experiments and thin film formation of decacyclene.

From: Freestanding non-covalent thin films of the propeller-shaped polycyclic aromatic hydrocarbon decacyclene

Fig. 1

a Schematic representation of the compression–decompression of decacyclene molecules at the air–water interface in a Langmuir–Blodgett through. b Representative experimental Langmuir–Blodgett isotherms for two consecutive compression/decompression cycles on a single sample, showing surface pressure as a function of mean molecular area. Black lines are isotherms computed using MD simulations, for systems containing 30 (●) and 60 (■) molecules, respectively. Reported values are averaged over 3 separate MD simulations with error bars indicating standard deviations. Insert shows the molecular structure of decacyclene. c Optimized geometry of a decacyclene dimer computed at PBE/6-31 G(d,p) (Supplementary Structure 5)30.

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