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://dx.doi.org/10.1021/acs.jpca.3c01820 | DOI Listing |
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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