Results 11 to 20 of about 19,114 (261)

Aromatic Borozene [PDF]

open access: yesNanoscale Research Letters, 2009
Abstract Based on our comprehensive theoretical investigation and known experimental results for small boron clusters, we predict the existence of a novel aromatic inorganic molecule, B12H6. This molecule, which we refer to as borozene, has remarkably similar properties to the well-known benzene.
Szwacki, N G, Weber, V, Tymczak, C J
openaire   +6 more sources

Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?

open access: yes, 2023
In a recent paper (Peerless et al. Nat. Chem. 15, 347-356, (2023)), the authors isolated the heterometallic cluster containing at its heart the prismatic {Bi6}-based cluster.
Dariusz, Szczepanik, Miquel, Solà
core   +1 more source

Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon

open access: yes, 2023
Aromaticity is typically regarded as an in-trinsic property of a molecule. It is often correlated with electron delocalization, stability, and other properties. Small variations in the molecular geometry usually result in small changes in aromaticity, in
Leo, Gross   +5 more
core   +1 more source

Emerging frontiers in aromaticity

open access: yes, 2023
In this themed collection, we embark on a captivating journey into the realm of aromaticity, a fundamental concept that has attracted chemists for nearly two centuries. This virtual collection offers a comprehensive overview of the recent advances in the
Israel Fernández   +7 more
core   +1 more source

The aromatic universe [PDF]

open access: yesPhysics Today, 2018
The rich molecular structures of polycyclic aromatic hydrocarbons—essentially planar flakes of fused benzene rings—and their fullerene cousins are revealed through their vibrational and electronic spectra.
Candian, A., Zhen, J., Tielens, A.G.G.M.
openaire   +3 more sources

Azaboracyclooctatetraenes Reveal that the Different Aspects of Triplet State Baird-Aromaticity are Nothing but Different

open access: yes, 2022
The Baird-aromaticity of BN/CC cyclooctatetraene isosteres (azaboracyclooctatetraenes) in their lowest triplet states (T1) has been explored through computations of various aromaticity indices describing the different aspects of aromaticity (magnetic ...
Slavko, Radenković   +3 more
core   +1 more source

Searching Building Blocks with Large Excited-State Gaps in Five-memebered Heterocyclic Rings by Aromaticity Strategy

open access: yes, 2021
Organic molecules with large gap between the excited singlet/triplet states can be applied in hot exciton emission and singlet fission to beat the spin statistics limit in optoelectronic devices.
Qi, Sun
core   +1 more source

Triplet State Baird-Aromaticity in Macrocycles: Scope, Limitations and Complications

open access: yes, 2020
The aromaticity of cyclic 4np-electron molecules in their first pp* triplet state (T1), labelled Baird-aromaticity, has gained growing attention in the last decade.
Kjell, Jorner   +4 more
core   +1 more source

Adaptive Aromaticity in 18e Metallapentalenes

open access: yes, 2023
Complexes with aromaticity in both the lowest singlet state (S0) and the lowest triplet state (T1) (denoted as adaptive aromaticity) are rare because according to Hückel’s and Baird’s rules, a species could be aromatic in either the S0 or T1 state in ...
Yifei Fang (10717932)   +5 more
core   +1 more source

Nature of Interactions between Boron Clusters: Extended Delocalization and Retention of Aromaticity post Oxidation

open access: yes, 2023
Polyhedral boron clusters are lauded as 3D-aromatic that frequently form interconnected periodic networks in boron-rich borides with metal and non-metals having high thermodynamic stability and hardness.
SOHAIL HAMID, DAR   +2 more
core   +1 more source

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