Bond-order discrimination by atomic force microscopy
We show that the different bond orders of individual carbon-carbon bonds in polycyclic
aromatic hydrocarbons and fullerenes can be distinguished by noncontact atomic force …
aromatic hydrocarbons and fullerenes can be distinguished by noncontact atomic force …
On-surface generation and imaging of arynes by atomic force microscopy
Reactive intermediates are involved in many chemical transformations. However, their
characterization is a great challenge because of their short lifetimes and high reactivities …
characterization is a great challenge because of their short lifetimes and high reactivities …
Studying an antiaromatic polycyclic hydrocarbon adsorbed on different surfaces
Antiaromatic and open-shell molecules are attractive because of their distinct electronic and
magnetic behaviour. However, their increased reactivity creates a challenge for probing their …
magnetic behaviour. However, their increased reactivity creates a challenge for probing their …
Extension and quantification of the Fries rule and its connection to aromaticity: Large-scale validation by wave-function-based resonance analysis
Y Wang - Journal of Chemical Information and Modeling, 2021 - ACS Publications
The Fries rule is a simple, intuitive tool to predict the most dominant Kekulé structures of
polycyclic aromatic hydrocarbons (PAHs), which is valuable for understanding the structure …
polycyclic aromatic hydrocarbons (PAHs), which is valuable for understanding the structure …
Bond length and charge density variations within extended arm chair defects in graphene
Extended linear arm chair defects are intentionally fabricated in suspended monolayer
graphene using controlled focused electron beam irradiation. The atomic structure is …
graphene using controlled focused electron beam irradiation. The atomic structure is …
Discrimination of bond order in organic molecules using noncontact atomic force microscopy
Noncontact atomic force microscopy (nc-AFM) with a CO-functionalized tip can image
submolecular structures through high-resolution images with the possibility of discriminating …
submolecular structures through high-resolution images with the possibility of discriminating …
[HTML][HTML] Kekulé Counts, Clar Numbers, and ZZ Polynomials for All Isomers of (5, 6)-Fullerenes C52–C70
HA Witek, R Podeszwa - Molecules, 2024 - pmc.ncbi.nlm.nih.gov
We report an extensive tabulation of several important topological invariants for all the
isomers of carbon (5, 6)-fullerenes Cn with n= 52–70. The topological invariants (including …
isomers of carbon (5, 6)-fullerenes Cn with n= 52–70. The topological invariants (including …
A case of breakdown of the Kekulé–structure model
I Gutman, S MARKOVIĆ, S JEREMIĆ - Polycyclic Aromatic …, 2010 - Taylor & Francis
For a long time, Kekulé structures have been used to predict and rationalize the stability,
geometry, and π-electron properties of polycyclic conjugated molecules, especially …
geometry, and π-electron properties of polycyclic conjugated molecules, especially …
Ring signatures for benzenoids with up to seven rings, Part 1: Catacondensed systems
M Randić, AT Balaban - International Journal of Quantum …, 2008 - Wiley Online Library
We revisited the π‐electron ring partitions in catacondensed benzenoids and re‐examined
structural regularities reported for the ring partitions in these compounds, seeking the origin …
structural regularities reported for the ring partitions in these compounds, seeking the origin …
A method for analyzing the cyclic electron delocalization interaction between different rings in polycyclic molecules
S Radenković - International Journal of Quantum Chemistry, 2021 - Wiley Online Library
There are many theoretical and experimental approaches which can be used to assess the
extent of cyclic electron delocalization in polycyclic conjugated compounds. On the other …
extent of cyclic electron delocalization in polycyclic conjugated compounds. On the other …