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Stabilizing Contorted Doubly-Reduced Tetraphenylene with Heavy Alkali Metal Complexation: Crystallographic and Theoretical Evidence.
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Department of Chemistry, University at Albany, State University of New York, Albany, NY, 12222, USA.
The two-fold reduction of tetrabenzo[a,c,e,g]cyclooctatetraene (TBCOT, or tetraphenylene, 1) with K, Rb, and Cs metals reveals a distinctive core transformation pathway: a newly formed C-C bond converts the central eight-membered ring into a twisted core with two fused five-membered rings. This C-C bond of 1.589(3)-1.
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J Chem Phys
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Volgograd State University, University Avenue 100, Volgograd 400062, Russia.
The first excited state of conjugated donor-acceptor molecules of C3 symmetry (octupolar molecules) is doubly degenerate. Such a doublet is known to be isomorphic to a spin 1/2. It is shown that a large electric dipole moment is associated with this spin.
View Article and Find Full Text PDFPAH-Finder: A Pattern Recognition Workflow for Identification of PAHs and Their Derivatives.
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Particle Pollution and Prevention (LAP3), Department of Environmental Science and Engineering, Fudan University, Shanghai 200438, China.
Polycyclic aromatic hydrocarbons (PAHs) are pervasive environmental pollutants with significant health risks due to their carcinogenic, mutagenic, and teratogenic properties. Traditional methods for PAH identification, primarily relying on gas chromatography-mass spectrometry (GC-MS), utilize spectral library searches together with other techniques, such as mass defect analysis. However, these methods are limited by incomplete spectral libraries and a high false positive rate.
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Universidade de São Paulo, Instituto de Química, Departamento de Química Fundamental, São Paulo, Brazil.
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View Article and Find Full Text PDFImpact of Double-π-Bridge on Bis(Triarylamine)-Based Organic Mixed-Valence System: A Case Study of Diaza[1.1](4,4")ortho-Terphenylophane Radical Cation.
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Department of Applied Chemistry, Graduate School of Engineering, Mie University, Tsu, Mie, 514-8507, Japan.
A bis(triarylamine) (BTA) radical cation, bridged by two o-terphenylene moieties, was prepared and characterized to explore the impact of the double-π-bridge on the intramolecular charge/spin transfer process in the 2-site organic mixed-valence (MV) compound. Spectroscopic analyses on optically and thermally assisted intervalence charge-transfer (IVCT) processes revealed that the doubly π-bridging enhanced the charge delocalization between two nitrogen redox-active centers, whereas the electronic coupling was not so strengthened, in comparison with the singly π-bridging reference compound.
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