Charged Ring Research Articles

Enhancing Performance and Stability of Perovskite Solar Cells with a Novel Formamidine Group Additive.

Perovskite materials, particularly FAPbI3, have emerged as promising candidates for solar energy conversion applications. However, these materials are plagued by well-known defects and suboptimal film quality. Enhancing crystallinity and minimizing defect density are therefore essential steps in the development of high-performance perovskite solar cells. In this study, 1H-Pyrazole-1-carboximidamide hydrochloride (PCH) is introduced into FAPbI3 perovskite films. The molecular structure of PCH features a pyrazole ring bonded to formamidine (FA). The FA moiety of PCH facilitated the incorporation of this additive into the film lattice, while the negatively charged pyrazole ring effectively passivated positively charged iodine vacancies. The presence of PCH led to the fabrication of an FAPbI3 device with improved crystallinity, a smoother surface, and reduced defect density, resulting in enhanced Voc and fill factor. A record power conversion efficiency of 24.62% is achieved, along with exceptional stability under prolonged air exposure and thermal stress. The findings highlight the efficacy of PCH as a novel additive for the development of high-performance perovskite solar cells.

Highly Anion-Conductive Viologen-Based Two-Dimensional Polymer Membranes as Nanopower Generators.

Two-dimensional polymers (2DPs) and their layer-stacked 2D covalent organic frameworks (2D COFs) membranes hold great potential for harvesting sustainable osmotic energy. The nascent research has yet to simultaneously achieve high ionic flux and selectivity, primarily due to inefficient ion transport dynamics. This is directly related to ultrasmall pore size (<3 nm), much smaller than the duple Debye length in the diluted electrolyte (6-20 nm), as well as low charge density (<4.5 mC m-2). Here, we introduce a π-conjugated viologen-based 2DP (V2DP) membrane possessing a large pore size of 4.5 nm, strategically enhancing the overlapping of the electric double layer, coupled with an exceptional positive surface charge density (~6 mC m-2). These characteristics enable the membrane to facilitate high anion flux while maintaining ideal selectivity. Notably, V2DP membranes realize an impressive current density of 5.5×103 A m-2, surpassing benchmarks set by previously reported nanofluidic membranes. In the practical application scenario involving the mixing of artificial seawater and river water, the V2DP membranes exhibit a considerable ion transference number of 0.70 towards Cl-, contributing to an outstanding power density of ~55 W m-2. Theoretical calculations reveal the important role of the large quantity of anion transport sites, which act as binding sites evenly located in the positively charged N-containing pyridine rings. These binding sites enable kinematic coupling and decoupling between anions and the V2DP skeleton, establishing a continuous Cl- ion transport pathway. This work demonstrates the great promise of large-area ultrathin 2DP membranes featuring highly organized charged ion transport networks when applied for osmotic energy conversion.

Enhanced High-Temperature performance of PEI dielectrics via deep trap energy levels and physically crosslinked effects

Dielectric capacitors are indispensable energy storage components in both civilian applications and industrial processes. Under elevated temperatures and intense electric fields, polymer dielectrics usually suffer from an inevitably increase in conductivity, leading to a significant reduction in breakdown strength, energy density and efficiency. This investigation aims to design an all-organic dielectric with enhanced high-temperature capacitive performance by introducing a small molecule P-xylene F (PF) into polyetherimide (PEI). Two mechanisms including the incorporation of deep trap energy levels via wide bandgap fillers and the electrostatic interactions by hydrogen bonding between the fillers and the polymer matrix are proposed to support the enhancement. The hydrogen bonding between PF and polyamic acid (PAA)chains induces the formation of physical cross-linking between PF and the negatively charged benzene rings in PEI after imidization. This influences benzene ring stacking within the polymer chains and enhances the film’s mechanical strength. Additionally, PF’s wider bandgap compared to PEI introduces deep trap energy levels, hindering carrier transport and reducing conductive losses at high temperatures. As results, the dielectric achieves an energy density (Ud) of 4.47 J/cm3 with an efficiency (η) above 90 % at 200 °C. Its excellent stability is also demonstrated with over 210,000 charge–discharge cycles at 200 °C. This study promotes the development of high-performance dielectrics at high temperature.

Molecular architecture of coronavirus double-membrane vesicle pore complex

Coronaviruses remodel the intracellular host membranes during replication, forming double-membrane vesicles (DMVs) to accommodate viral RNA synthesis and modifications1,2. SARS-CoV-2 non-structural protein 3 (nsp3) and nsp4 are the minimal viral components required to induce DMV formation and to form a double-membrane-spanning pore, essential for the transport of newly synthesized viral RNAs3–5. The mechanism of DMV pore complex formation remains unknown. Here we describe the molecular architecture of the SARS-CoV-2 nsp3–nsp4 pore complex, as resolved by cryogenic electron tomography and subtomogram averaging in isolated DMVs. The structures uncover an unexpected stoichiometry and topology of the nsp3–nsp4 pore complex comprising 12 copies each of nsp3 and nsp4, organized in 4 concentric stacking hexamer rings, mimicking a miniature nuclear pore complex. The transmembrane domains are interdigitated to create a high local curvature at the double-membrane junction, coupling double-membrane reorganization with pore formation. The ectodomains form extensive contacts in a pseudo-12-fold symmetry, belting the pore complex from the intermembrane space. A central positively charged ring of arginine residues coordinates the putative RNA translocation, essential for virus replication. Our work establishes a framework for understanding DMV pore formation and RNA translocation, providing a structural basis for the development of new antiviral strategies to combat coronavirus infection.

Solution generation of a capped black hole

Utilizing the electric Harrison transformation developed in five-dimensional minimal supergravity, we construct an exact solution characterizing non-BPS (Bogomol’nyi-Prasad-Sommerfield) charged rotating black holes with a horizon cross section of a lens space L(n;1). Among these solutions, only the ones corresponding to n=0 and n=1 do not have any curvature singularities, conical singularities, Dirac-Misner string singularities, and orbifold singularities both on and outside the horizon; additionally, they are free from closed timelike curves. The solution for n=0 corresponds to the charged dipole black ring that we constructed in the previous paper. The specific solution for n=1, referred to as the “capped black hole,” was introduced in our previous article. This provides the first example of a non-BPS exact solution, representing an asymptotically flat, stationary spherical black hole with a domain of outer communication (DOC) having a nontrivial topology in five-dimensional minimal supergravity. We demonstrate that the DOC on a time slice has the topology of [R4#CP2]\B4. Differing from the well-known Myers-Perry and Cvetič-Youm black holes describing a spherical horizon topology and a DOC with a trivial topology of R4\B4 on a timeslice, the capped black hole’s horizon is capped by a disk-shaped bubble. We explicitly demonstrate that the capped black hole carries mass, two angular momenta, an electric charge, and a magnetic flux, with only three of these quantities being independent. Furthermore, we reveal that this black hole can possess identical conserved charges as the Cvetič-Youm black hole. The existence of this solution challenges black hole uniqueness beyond both the black ring and the BPS spherical black hole. Moreover, within specific parameter regions, the capped black hole can exhibit larger entropy than the Cvetič-Youm black hole. Published by the American Physical Society 2024

Controlling Electroosmosis in Nanopores Without Altering the Nanopore Sensing Region.

Nanopores are powerful tools for single-molecule sensing of biomolecules and nanoparticles. The signal coming from the molecule to be analyzed strongly depends on its interaction with the narrower sectionof the nanopore (constriction) that may be tailored to increase sensing accuracy. Modifications of nanopore constriction have also been commonly used to induce electroosmosis, that favors the capture of molecules in the nanopore under a voltage bias and independently of their charge. However, engineering nanopores for increasing both electroosmosis and sensing accuracy is challenging. Here it is shown that large electroosmotic flows can be achieved without altering the nanopore constriction. Using continuum electrohydrodynamic simulations, it is found that an external charged ring generates strong electroosmosis in cylindrical nanopores. Similarly, for conical nanopores it is shown that moving charges away from the cone tip still results in an electroosmotic flow (EOF), whose intensity reduces increasing the diameter of the nanopore sectionwhere charges are placed. This paradigm is applied to engineered biological nanopores showing, via atomistic simulations and experiments, that mutations outside the constriction induce a relatively intense electroosmosis. This strategy provides much more flexibility in nanopore design since electroosmosis can be controlled independently from the constriction, which can be optimized to improve sensingaccuracy.

An unstructured body-of-revolution electromagnetic particle-in-cell algorithm with radial perfectly matched layers and dual polarizations

A novel electromagnetic particle-in-cell algorithm has been developed for fully kinetic plasma simulations on unstructured (irregular) meshes in complex body-of-revolution geometries. The algorithm, implemented in the BORPIC++ code, utilizes a set of field scalings and a coordinate mapping, reducing the Maxwell field problem in a cylindrical system to a Cartesian finite element Maxwell solver in the meridian plane. The latter obviates the cylindrical coordinate singularity in the symmetry axis. The choice of an unstructured finite element discretization enhances the geometrical flexibility of the BORPIC++ solver compared to the more traditional finite difference solvers. Symmetries in Maxwell's equations are explored to decompose the problem into two dual polarization states with isomorphic representations that enable code reuse. The particle-in-cell scatter and gather steps preserve charge-conservation at the discrete level. Our previous algorithm (BORPIC+) discretized the E and B field components of TEϕ and TMϕ polarizations on the finite element (primal) mesh [1,2]. Here, we employ a new field-update scheme. Using the same finite element (primal) mesh, this scheme advances two sets of field components independently: (1) E and B of TEϕ polarized fields, (Ez,Eρ,Bϕ) and (2) D and H of TMϕ polarized fields, (Dϕ,Hz,Hρ). Since these field updates are not explicitly coupled, the new field solver obviates the coordinate singularity, which otherwise arises at the cylindrical symmetric axis, ρ=0 when defining the discrete Hodge matrices (generalized finite element mass matrices). A cylindrical perfectly matched layer is implemented as a boundary condition in the radial direction to simulate open space problems, with periodic boundary conditions in the axial direction. We investigate effects of charged particles moving next to the cylindrical perfectly matched layer. We model azimuthal currents arising from rotational motion of charged rings, which produce TMϕ polarized fields. Several numerical examples are provided to illustrate the first application of the algorithm.

New construction of a charged dipole black ring by the Harrison transformation

New construction of a charged dipole black ring by the Harrison transformation

Molecular crystals of 2-methyl-1H-benzo[d]imidazole and pyridine-2,6-dimethanol with chloranilic, trimesic and gallic acid

Crystallization experiments of 2-methyl-1H-benzo[d]imidazole (MBI) and pyridine-2,6- dimethanol (PDM) with chloranilic (CLA), trimesic (TMA) and gallic acid (GA) yielded a total of ten multicomponent molecular crystals in salt form, i.e., MBI:CLA (1), 2MBI:CLA:2H2O (2), 2MBI:CLA:3H2O (3A), 2MBI:CLA:3H2O (3B), 2MBI:CLA:4H2O (4), MBI:TMA (5), MBI:GA:3.4H2O (6), PDM:CLA (7), PDM:CLA:H2O (8), and 2PDM:CLA (9), of which compounds 3A and 3B are polymorphs. Characteristic for the crystal structures of all compounds except for 7 is the presence of heterosynthons formed between the molecular components by charge-assisted NHMBI/PDM⋯OCLA/TMA/GA hydrogen bonds, which are mostly bifurcated. In compound 7, the positively charged NH groups are involved in the formation of PDM-PDM homodimers interacting through NHPDM⋯OPDM hydrogen bonds. The series of compounds having 2:1 MBI/PDM:CLA ratio (2, 3A, 3B, 4 and 9) comprise trimeric molecular units of the composition MBI-CLA-MBI or PDM-CLA-PDM, respectively, based on charge-assisted bifurcated NH⋯O hydrogen bonds. Despite the directionality of these interactions, the units have certain flexibility consisting in mutual bending of the aromatic ring planes and are considered interesting building blocks for crystal engineering purposes. Except for compound 9, all crystal structures exhibit π⋯π interactions involving the positively charged benzimidazolium and pyridinium rings of protonated MBI and PDM and/or the π-delocalized sections in the organic anions. The water molecules in hydrates 2, 3A, 3B, 4, 6 and 8 exercise mostly crystal lattice stabilizing functions by interconnecting the synthons established among the organic components. Hirshfeld surface and fingerprint analysis revealed that O⋯H/H⋯O interactions and van der Waals contacts are dominant in conjunct with Cl⋯H/H⋯Cl contacts in the compounds derived from CLA.

Electrostatic potential of a uniformly charged annulus

The calculation of the electrostatic potential and/or electrostatic field due to a continuous distribution of charge is a well-covered topic in all calculus-based undergraduate physics courses. The most common approach is to consider bodies with uniform charge distribution and obtain the quantity of interest by integrating over the contributions from all the differential charges. The examples of a uniformly charged disk and ring are prominent in many physics textbooks since they illustrate well this technique at least for special points or directions of symmetry where the calculations are relatively simple. Surprisingly, the case of a uniformly charged annulus, namely, an annular disk, is largely absent from the literature. One might speculate that a uniformly charged annulus is not extremely interesting since after all, it is a uniformly charged disk with a central circular hole. However, we show in this work that the electrostatic potential created by a uniformly charged annulus has features that are much more interesting than one might have expected. A uniformly charged annulus interpolates between a uniformly charged disk and ring. However, the results of this work suggest that a uniformly charged annulus has such electrostatic features that may be essentially viewed as ring-like. The ring-like characteristics of the electrostatic potential of a uniformly charged annulus are evident as soon as a hole is present no matter how small the hole might be. The solution of this problem allows us to draw attention to the pedagogical aspects of this overlooked, but very interesting case study in electrostatics. In our opinion, the problem of a uniformly charged annulus and its electrostatic properties deserves to be treated at more depth in all calculus-based undergraduate physics courses covering electricity and magnetism.

Molecular structure impacts of tetrazole derivatives on their diffusion and adsorption behaviors for microvia copper void-free filling

Optimizing a high-quality leveler has become the core task in developing the microvia copper filling technology. In this work, two nitrogen-containing heterocyclic compounds, iodonitrotetrazolium chloride (INT) and thiazolyl blue tetrazolium bromide (MTT) with a similar tetrazolyl group are selected as the levelers to investigated the molecular structure impacts on their microvia copper filling performance. Both INT and MTT inhibit the electroreduction of copper ions. The inhibiting effect of INT is greatly enhanced by convection while MTT is independent of convection, indicating a bottom-up filling performance of INT and a conformal filling performance of MTT. The microvias are supper-filled and poor-filled in electrolytes containing INT and MTT, respectively, as predicted by electrochemical analysis. Molecular dynamic simulation demonstrates that INT adsorbs in a flat orientation with its iodine and nitro group's two oxygen atoms interacting on the Cu(111) plane surface. MTT adsorbs on Cu(111) surface via positively charged tetrazole ring and its adsorption ability is much stronger than that of INT. The weak adsorption ability of INT on copper surface and the slow mass transfer rate result in its convection-dependent adsorption behavior and the excellent microvia copper filling performance.

Quantum problem of the potential of a ring charged on the symmetry axis

Abstract In this work we discuss about the problem of an electrically charged particle placed on the symmetry axis of an electrically charged ring in a quantum viewpoint. This problem should be an expanded version of the usual quantum ring and quantum corral. For this purpose, we present a detailed and pedagogical review about a version of the quantum ring focusing in mathematical aspects. As a new result, we calculate numerically the spectrum and wave functions related to charged particle located on the symmetry axis of charged ring and respective wave functions using two different ways: Numerov and perturbative method.

Electrospinning drafting system for polyamide 6 and polyamide 6.6 nanofiber production

Electrospinning or electrostatic spinning is a straightforward, economical and unique method to produce novel fibers with diameters in the range of 100 nm and even less. However, this process is characterized by uncontrolled and chaotic oscillation of the charged electrospinning jet, which leads to the formation of beads, beaded fibers and uneven nanofibers. This research work aims at the development of an electrospinning system to control the deposition of electrospun nanofibers of polyamide 6 (PA6) and polyamide 6.6 (PA6.6) through the use of a series of metal rings, along the charged jet path, and the addition of a secondary direct current voltage power supply connected to these metal rings, which enables greater control over the polymer jet stream. In the present work, the effects of the addition of the charged metal rings with different applied voltages and some electrospinning parameters on the morphological appearance and average size diameter of the electrospun PA6 and PA6.6 fibers are investigated. The use of the developed electrospinning system with metal rings connected to the second power supply with increasing voltages proved to be successful in obtaining thinner PA6 and PA6.6 nanofibers with a lower standard deviation and the formation of few beads.

SDBS induces multiple catalase conformations in a dose-dependent manner

Amyloid fibrils have been linked to several incurable diseases. They are long and thin fibrous proteins that self-assemble into fibrils. Small molecules can stimulate amyloid fibrillation, but the mechanism by which this happens is not well understood. This study examined how a negatively charged benzene ring containing surfactant, sodium dodecylbenzene sulphonate (SDBS), affects the fibrillation of bovine liver catalase (BLC). After SDBS treatment, BLC conformational changes were examined in vitro using turbidity, RLS kinetics, intrinsic fluorescence, ThT fluorescence, far-UV CD, and TEM. BLC in the native state was alpha-helical at pH 7.4, while it was converted to a random coil structure at pH 2.0. Far-UV CD and intrinsic fluorescence data showed that at concentrations <0.1 mM of SDBS, randomly coiled BLC assumed a native-like alpha-helical structure. However, between 0.1 and 1.0 mM SDBS, BLC was aggregated. ThT fluorescence and far-UV CD measurements showed the amyloid-like structures in the aggregated BLC. At higher SDBS concentrations (>1.0 mM) at pH 2.0, BLC again attains a native-like alpha-helical structure. It is essential for therapeutic purposes to clearly understand the process underlying surfactant- or lipid-induced fibrillation.

Modeling the electrostatic field of a charged ring located inside an infinite cylinder in the presence of a torus

Objectives. Analytical solution of the boundary value problem of electrostatics for modeling the electrostatic field of a charged ring located inside a grounded infinite circular cylinder in the presence of a perfectly conducting torus is considered. The field source is a thin charged ring located on a plane perpendicular to the axis of the cylindrical screen.Methods. To solve the problem, the method of addition theorems is used. The potential of the initial electrostatic field is presented in the form of spherical harmonic functions and in the form of a superposition of cylindrical and toroidal harmonic functions, using addition theorems relating spherical, cylindrical and toroidal harmonic functions. The secondary potential of the electrostatic field is also represented as a superposition of cylindrical and toroidal harmonic functions.Results. The solution of the formulated boundary problem is reduced to the solution of an infinite system of linear algebraic equations of the second kind with respect to the coefficients included in the representation of the secondary field. The influence of some parameters of the problem on the value of the electrostatic potential inside a grounded cylindrical shield in the presence of a toroidal inclusion is numerically studied. The calculation results are presented in the form of graphs.Conclusion. The proposed technique and the developed software can find practical application in the development and design of screens in various fields of technology.

Sliding Dynamics of a Small Charged Ring Chain on the Diblock Polyelectrolyte in Poly[2]catenane in the Presence of Counterions.

In this study, we investigate the sliding dynamics of small charged ring chains along the rigid central cyclic diblock polyelectrolyte of AnBn in radial charged poly[2]catenane in the presence of counterions using molecular dynamics simulations and the Lifson-Jackson formula, and our aim is to study the effects of electrostatical interaction strength, the size of the charged small ring chain, and the rigid block length of the diblock polyelectrolyte on the sliding dynamics of a small ring chain threaded on the rigid diblock polyelectrolyte. The mean-square displacement g3(t) of a small ring chain sliding along the rigid diblock polyelectrolyte of A10B10 exhibits oscillating behavior at short time scales for the moderate electrostatical interaction strength, while for the weak or strong electrostatic interactions, it is normal subdiffusion at short time scales. For n = 1, the diffusion coefficient D of the small ring chain sliding along the rigid diblock polyelectrolyte of A1B1 decreases monotonically as the relative electrostatic interaction strength A increases from A = 0.25-4. However, for n ≠ 1, the diffusion coefficient D of the small ring chain sliding along the rigid diblock polyelectrolyte of AnBn first decreases and then increases with the increase of A, and the nonmonotonous relationship between D and A becomes more obvious for larger n. In view of the free energy potential, the sliding diffusion of a small ring chain is governed by both the width of the free energy potential well and the height of the free energy potential barrier. According to the potential of mean force (PMF) of the small ring chain sliding along the rigid diblock polyelectrolyte, we find that our results are in good agreement with the theoretical analysis using the Lifson-Jackson formula. These results may help us to understand the diffusion motion of a ring chain in radial poly[n]catenanes from a fundamental point of view and control the sliding dynamics in molecular designs.

Imidazol(in)ium-2-Thiocarboxylate Zwitterion Ligands: Structural Aspects in Coordination Complexes

Azolium-2-thiocarboxylate zwitterion ligands have emerged as a promising class of compounds in the field of coordination chemistry due to their unique structural features and versatile applications. These ligands are characterized by a positively charged azolium ring and a negatively charged thiocarboxylate moiety, making them capable of forming stable coordination complexes with various metal ions. One of the key structural aspects that make these ligands attractive for coordination chemistry is their ability to adopt diverse coordination modes with metal centers. The nature of these ligands enables them to engage in both monodentate and bidentate coordination, resulting in the formation of chelated complexes with enhanced stability and controlled geometry or the formation of polynuclear structures. This versatility in coordination behavior allows for the design of tailored ligands with specific metal-binding preferences, enabling the creation of unique and finely tuned coordination architectures. The azolium-2-thiocarboxylate zwitterionic ligands offer a promising platform for the design of coordination complexes with diverse structural architectures.

Dynamics of SLC25A51 reveal preference for oxidized NAD+ and substrate led transport.

SLC25A51 is a member of the mitochondrial carrier family (MCF) but lacks key residues that contribute to the mechanism of other nucleotide MCF transporters. Thus, how SLC25A51 transports NAD+ across the inner mitochondrial membrane remains unclear. To elucidate its mechanism, we use Molecular Dynamics simulations to reconstitute SLC25A51 homology models into lipid bilayers and to generate hypotheses to test. We observe spontaneous binding of cardiolipin phospholipids to three distinct sites on the exterior of SLC25A51's central pore and find that mutation of these sites impairs cardiolipin binding and transporter activity. We also observe that stable formation of the required matrix gate is controlled by a single salt bridge. We identify binding sites in SLC25A51 for NAD+ and show that its selectivity for NAD+ is guided by an electrostatic interaction between the charged nicotinamide ring in the ligand and a negatively charged patch in the pore. In turn, interaction of NAD+ with interior residue E132 guides the ligand to dynamically engage and weaken the salt bridge gate, representing a ligand-induced initiation of transport.

Hexahelicene DNA-binding: Minor groove selectivity, semi-intercalation and chiral recognition

In this contribution, we focused on a fundamental study targeting the interaction of water-soluble [6]helicene derivative 1 (1-butyl-3-(2-methyl[6]helicenyl)-imidazolium bromide) with double-stranded (ds) DNA. A synthetic 30-base pair duplex, plasmid, chromosomal calf thymus and salmon DNA were investigated using electrochemistry, electrophoresis and spectroscopic tools supported by molecular dynamics (MD) and quantum mechanical approaches. Both experimental and theoretical work revealed the minor groove binding of 1 to the dsDNA. Both the positively charged imidazole ring and hydrophobic part of the side chain contributed to the accommodation of 1 into the dsDNA structure. Neither intercalation into the duplex DNA nor the stable binding of 1 to single-stranded DNA were found in topoisomerase relaxation experiments with structural components of 1, i.e. [6]helicene (2) and 1-butyl-3-methylimidazolium bromide (3), nor by theoretical calculations. Finally, the binding of optically pure enantiomers (P)-1 and (M)-1 was studied using circular dichroism spectroscopy, isothermal titration calorimetry and UV Resonance Raman (UVRR) methods. Using MD and quantum mechanical methods, minor groove and semi-intercalation were proposed for compound 1 as the predominant binding modes. From the UVRR findings, we also can conclude that 1 tends to preferentially interact with adenine and guanine residues in the structure of dsDNA.

Thermal and oxidative syntheses, structure, and optical properties of 2,6,8-trisubstituted 1,2,3-triazolo[4′,5′:3,4]pyrazolo[1,5-a]pyrimidin-2-ium-1(3)-ides

This study reports the unexpected synthesis of eight examples of a new heterocyclic system, which is composed of a charged triazole ring fused to the pyrazolo[1,5-a]pyrimidine, named 2,8-(diaryl)-6-(trifluoromethyl)-[1,2,3]triazolo[4′,5′:3,4]pyrazolo[1,5-a]pyrimidin-2-ium-1(3)-ides (2). Compounds 2 were successfully synthesized from the reactions of E-3-(aryldiazenyl)-7-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidin-2-amines (1) in yields of up to 85% by employing two different method: thermal azide decomposition and oxidative cyclization. In general, derivatives 2a–h presented absorption bands at the ultraviolet region (250–380 nm) and green emission properties with large Stokes shifts. Moreover, TD-DFT calculations were performed, and redox analysis was conducted by cyclic voltammetry.