Results 11 to 20 of about 19,114 (261)
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
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Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?
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
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Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon
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
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Emerging frontiers in aromaticity
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
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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.
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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
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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
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Triplet State Baird-Aromaticity in Macrocycles: Scope, Limitations and Complications
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
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Adaptive Aromaticity in 18e Metallapentalenes
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
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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
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