Speakers: J. Vacek (Institute of Organic Chemistry and Biochemistry v.v.i. AS CR)
Place: Cukrovarnická, seminar room, building A, 1st floor
Presented in Czech
Organisers:
Department of Thin Films and Nanostructures
We studied self-organization of azahelicenes ((+)-(P)-2-aza[6]helicene) on Ag(1,1,1) surfaces. Combined scanning tunneling microscopy (STM) and tuning-fork-based noncontact atomic force microscopy (NC-AFM) were used to explore the system experimentally. Regular flower-like cyclic aggregates consisting of six azahelicenes were observed. Computational chemistry methods were then applied to estimate the structure of the observed molecular clusters. Density functional theory calculations with empirical correction for the dispersion interactions (bp86/def2-SVP) and molecular dynamics simulations using the TINK code with Universal Force Field were employed to calculate the Ag(1,1,1)-azahelicene complexes and interpret the experimental results. Calculated structures are shown in Figures 1 and 2. The latter Figure also demonstrates the agreement with the STM image.
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