Carbon-[]Triangulenes and Sila-[]Triangulenes: Which Are Planar?

J Phys Chem A

School of Physics and Physical Engineering, Qufu Normal University, Qufu 273165, P. R. China.

Published: June 2023

Using our recently suggested concept of a quasi-molecule ("tile") and, in the case of the planarity here at stake, its generalization to larger than tetratomics, we explain why carbon []triangulenes tend to be planar, while hybrids, where just a few or even all - or -type carbon atoms are silicon-substituted (sila-[]triangulenes), tend to be planar/nonplanar when compared with the unsubstituted carbon-[]triangulenes. Because other spin states of the parent carbon- and sila-[]triangulenes tend to correlate with the same tiles, it is conjectured that no structural changes are expected to depend on their spin state. Other polycyclic and sila-compounds are also discussed.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10278145PMC
http://dx.doi.org/10.1021/acs.jpca.3c01820DOI Listing

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Carbon-[]Triangulenes and Sila-[]Triangulenes: Which Are Planar?

J Phys Chem A

June 2023

School of Physics and Physical Engineering, Qufu Normal University, Qufu 273165, P. R. China.

Using our recently suggested concept of a quasi-molecule ("tile") and, in the case of the planarity here at stake, its generalization to larger than tetratomics, we explain why carbon []triangulenes tend to be planar, while hybrids, where just a few or even all - or -type carbon atoms are silicon-substituted (sila-[]triangulenes), tend to be planar/nonplanar when compared with the unsubstituted carbon-[]triangulenes. Because other spin states of the parent carbon- and sila-[]triangulenes tend to correlate with the same tiles, it is conjectured that no structural changes are expected to depend on their spin state. Other polycyclic and sila-compounds are also discussed.

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