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1,4-Azaborine as a controller of triplet energy, exciton distribution, and aromaticity in [6]cycloparaphenylenes
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Consequences of Triplet Aromaticity in 4nπ-Electron Annulenes: Calculation of Magnetic Shieldings for Open-Shell Species
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A Modular Synthetic Approach to Monocyclic 1,4‐Azaborines
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BN versus CC: How Similar Are They?
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Recent Advances in Azaborine Chemistry
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Boron‐Substituted 1,3‐Dihydro‐1,3‐azaborines: Synthesis, Structure, and Evaluation of Aromaticity
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Properties of Sizeable [ n ]Cycloparaphenylenes as Molecular Models of Single‐Wall Carbon Nanotubes Elucidated by Raman Spectroscopy: Structural and Electron‐Transfer Responses under Mechanical Stress
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Aromaticity Reversal in the Lowest Excited Triplet State of Archetypical Möbius Heteroannulenic Systems
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Aromaticity and Stability of Azaborines
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BN Heterosuperbenzenes: Synthesis and Properties
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Multiwfn: A multifunctional wavefunction analyzer
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Describing excited states of [n]cycloparaphenylenes by hybrid and double-hybrid density functionals: from isolated to weakly interacting molecules
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The Interplay of Angle Strain and Aromaticity: Molecular and Electronic Structures of [0 n ]Paracyclophanes
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Raman spectroscopy of carbon nanohoops
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Time-dependent transition density matrix
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Time-dependent density functional theory within the Tamm–Dancoff approximation
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Carbon Nanohoops: Excited Singlet and Triplet Behavior of Aza[8]CPP and 1,15-Diaza[8]CPP
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Inclusion of Asymptotic Dependence of Reorganization Energy in the Modified Marcus-Based Multistate Model Accurately Predicts Hole Distribution in Poly-p-phenylene Wires
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Defining Cyclic–Acyclic Exciton Transition at the Single-Molecule Level: Size-Dependent Conformational Heterogeneity and Exciton Delocalization in Ethynylene-Bridged Cyclic Oligothiophenes
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Investigating the Reactivity of 1,4-Anthracene-Incorporated Cycloparaphenylene
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Synthesis, Properties, and Design Principles of Donor–Acceptor Nanohoops
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Influence of Triplet Instabilities in TDDFT
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Quantum Dynamics Simulations Reveal Vibronic Effects on the Optical Properties of [ n ]Cycloparaphenylenes
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Quantum organic photochemistry. II. Resonance and aromaticity in the lowest 3.pi..pi.* state of cyclic hydrocarbons
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Selective and Random Syntheses of [n]Cycloparaphenylenes (n = 8–13) and Size Dependence of Their Electronic Properties
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Seeking Small Molecules for Singlet Fission: A Heteroatom Substitution Strategy
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UV-Photoelectron Spectroscopy of BN Indoles: Experimental and Computational Electronic Structure Analysis
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Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes
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A Circle Has No End: Role of Cyclic Topology and Accompanying Structural Reorganization on the Hole Distribution in Cyclic and Linear Poly-p-phenylene Molecular Wires
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The Least Stable Isomer of BN Naphthalene: Toward Predictive Trends for the Optoelectronic Properties of BN Acenes
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Z/E-Photoisomerizations of Olefins with 4nπ- or (4n + 2)π-Electron Substituents: Zigzag Variations in Olefin Properties along the T1 State Energy Surfaces
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Magnetically Induced Currents in [ n ]Cycloparaphenylenes, n = 6−11
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Selective Syntheses of [7]–[12]Cycloparaphenylenes Using Orthogonal Suzuki–Miyaura Cross-Coupling Reactions
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Overcoming Low Orbital Overlap and Triplet Instability Problems in TDDFT
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Computational Design of Host Materials Suitable for Green-(Deep) Blue Phosphors through Effectively Tuning the Triplet Energy While Maintaining the Ambipolar Property
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Carbon Nanohoops: Excited Singlet and Triplet Behavior of [9]- and [12]-Cycloparaphenylene
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Properties of Triplet-Excited [n]Cycloparaphenylenes (n = 8–12): Excitation Energies Lower than Those of Linear Oligomers and Polymers
inferredcites →https://doi.org/10.1021/jp8037335openalex-snapshot
Ground- and Excited-State Aromaticity and Antiaromaticity in Benzene and Cyclobutadiene
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Optoelectronic Properties of Carbon Nanorings: Excitonic Effects from Time-Dependent Density Functional Theory
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Excited States in Cycloparaphenylenes: Dependence of Optical Properties on Ring Length
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Radical Ions of Cycloparaphenylenes: Size Dependence Contrary to the Neutral Molecules
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Self-Trapping of Excitons, Violation of Condon Approximation, and Efficient Fluorescence in Conjugated Cycloparaphenylenes
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Theoretical Studies on the Structures and Strain Energies of Cycloparaphenylenes
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The aromaticity and Möbius characteristics of carbeno[8]heteroannulenes and triplet state annulenesElectronic supplementary information (ESI) available: due to the two printed page length restriction on this communication, energies and coordinates for all the systems studied can be viewed via the…
inferredcites →https://doi.org/10.1039/c2cp23418aopenalex-snapshot
Phenylcarbazole and phosphine oxide/sulfide hybrids as host materials for blue phosphors: effectively tuning the charge injection property without influencing the triplet energy
inferredcites →https://doi.org/10.1039/c2cp42712eopenalex-snapshot
Size-dependent fluorescence properties of [n]cycloparaphenylenes (n = 8–13), hoop-shaped π-conjugated molecules
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Quantum chemical characterization and design of host materials based on phosphine oxide-substituted (triphenylamine) fluorene for (deep) blue phosphors in OLEDs
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Combined experimental and theoretical studies on the photophysical properties of cycloparaphenylenes
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Origin of the size-dependent fluorescence blueshift in [n]cycloparaphenylenes
inferredcites →https://doi.org/10.1039/c5cp01782copenalex-snapshot
Singlet and triplet excitons and charge polarons in cycloparaphenylenes: a density functional theory study
inferredcites →https://doi.org/10.1039/c5cs00143aopenalex-snapshot
The dynamic, size-dependent properties of [5]–[12]cycloparaphenylenes
inferredcites →https://doi.org/10.1039/c6ob00133eopenalex-snapshot
Synthesis and characterization of a highly strained donor–acceptor nanohoop
inferredcites →https://doi.org/10.1103/physrevlett.78.1396openalex-snapshot
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
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Some Recent Advances in Density Matrix Theory
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Molecular design of NIR-II organic fluorescent probe based on adjusting the shielding unit
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Triplet-State Structures, Energies, and Antiaromaticity of BN Analogues of Benzene and Their Benzo-Fused Derivatives
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Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications
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A Ground-State Dual-Descriptor Strategy for Screening Efficient Singlet Fission Systems
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Hydrogen Migration-Triggered Diradicaloid Singlet-Fission Switch
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Fluorescent cyclophanes and their applications
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Design of D–π–A type carbon nanohoops with enhanced nonlinear optical response: a size-dependent effect study
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Molecular engineering of metal-based photosensitizers with narrow band gap for efficient photodynamic therapy
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