Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Stacking Control by Molecular Symmetry of Sterically Protected Phthalocyanines.

ABSTRACT: The synthesis and characterization of two phthalocyanine (Pc) structural isomers, 1 and 2, in which four 2,6-di(hexyloxy)phenyl units were attached directly to the 1,8,15,22- or 1,4,15,18-positions of the Pc rings, are described. Both Pcs 1 and 2 exhibited low melting points, i.e., 120 and 130 °C respectively, due to the reduction in intermolecular ?-? interaction among the Pc rings caused by the steric hindrance of 2,6-dihexyloxybenzene units. The thermal behaviors were investigated with temperature-controlled polarizing optical microscopy, differential scanning calorimetry, powder X-ray diffraction, and absorption spectral analyses. Pc 1, having C_4h molecular symmetry, organized into a lamellar structure containing lateral assemblies of Pc rings. In contrast, the other Pc 2 revealed the formation of metastable crystalline phases, including disordered stacks of Pcs due to rapid cooling from a melted liquid.

SUBMITTER: Kudo R

PROVIDER: S-EPMC7730234 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Stacking Control by Molecular Symmetry of Sterically Protected Phthalocyanines.

Kudo Ryota R Sonobe Masahiro M Chino Yoshiaki Y Kitazawa Yu Y Kimura Mutsumi M

Molecules (Basel, Switzerland) 20201126 23

The synthesis and characterization of two phthalocyanine (Pc) structural isomers, 1 and 2, in which four 2,6-di(hexyloxy)phenyl units were attached directly to the 1,8,15,22- or 1,4,15,18-positions of the Pc rings, are described. Both Pcs 1 and 2 exhibited low melting points, i.e., 120 and 130 °C respectively, due to the reduction in intermolecular π-π interaction among the Pc rings caused by the steric hindrance of 2,6-dihexyloxybenzene units. The thermal behaviors w ...[more]

PMID: 33256076

Similar Datasets

Low-Symmetry Phthalocyanines Bearing Carboxy-Groups: Synthesis, Spectroscopic and Quantum-Chemical Characterization.

Project description:The synthesis and characterization of A3B-type phthalocyanines, ZnPc1-4, bearing bulky 2,6-diisopropylphenoxy-groups or chlorine atoms on isoindoline units "A" and either one or two carboxylic anchors on isoindoline unit "B" are reported. A comparison of molecular modelling with the conventional time dependent-density functional theory (TD-DFT) approach and its simplified sTD-DFT approximation provides further evidence that the latter method accurately reproduces the key trends in the spectral properties, providing colossal savings in computer time for quite large molecules. This demonstrates that it is a valuable tool for guiding the rational design of new phthalocyanines for practical applications.

| S-EPMC8781019 | biostudies-literature

Stacking symmetry governed second harmonic generation in graphene trilayers.

Project description:Crystal symmetry plays a central role in governing a wide range of fundamental physical phenomena. One example is nonlinear optical second harmonic generation (SHG), which requires inversion symmetry breaking. We report a unique stacking-induced SHG in graphene trilayers, whose individual monolayer sheet is centrosymmetric. Depending on layer stacking sequence, we observe a strong optical SHG in a Bernal ABA-stacked non-centrosymmetric trilayer, while it vanishes in a rhombohedral ABC-stacked one, which preserves inversion symmetry. This highly contrasting SHG due to the distinct stacking symmetry enables us to map out the ABA and ABC crystal domains in an otherwise homogeneous graphene trilayer. The extracted second-order nonlinear susceptibility of the ABA trilayer is surprisingly large, comparable to the best known two-dimensional semiconductors enhanced by excitonic resonance. Our results reveal a novel stacking order-induced nonlinear optical effect, as well as unleash the opportunity for studying intriguing physical phenomena predicted for stacking-dependent ABA and ABC graphene trilayers.

| S-EPMC6003727 | biostudies-literature

Symmetry-protected transport in a pseudospin-polarized waveguide.

Project description:If a system possesses a spin or pseudospin, which is locked to the linear momentum, spin-polarized states can exhibit backscattering-immune transport if the scatterer does not flip the spin. Good examples of such systems include electronic and photonic topological insulators. For electromagnetic waves, such pseudospin states can be achieved in metamaterials with very special artificial symmetries; however, these bulk photonic topological insulators are usually difficult to fabricate. Here we propose a paradigm in which the pseudospin is enforced simply by imposing special boundary conditions inside a channel. The symmetry-protected pseudospin states are guided in air and no bulk material is required. We also show that the special boundary conditions can be implemented simply using an array of metallic conductors, resulting in spin-filtered waveguide with a simple structure and a broad working bandwidth. We generate several conceptual designs, and symmetry-protected pseudospin transport in the microwave regime is experimentally indicated.

| S-EPMC4598361 | biostudies-literature

Topological Heat Transport and Symmetry-Protected Boson Currents.

Project description:The study of non-equilibrium properties in topological systems is of practical and fundamental importance. Here, we analyze the stationary properties of a two-dimensional bosonic Hofstadter lattice coupled to two thermal baths in the quantum open-system formalism. Novel phenomena appear like chiral edge heat currents that are the out-of-equilibrium counterparts of the zero-temperature edge currents. They support a new concept of dissipative symmetry-protection, where a set of discrete symmetries protects topological heat currents, differing from the symmetry-protection devised in closed systems and zero-temperature. Remarkably, one of these currents flows opposite to the decreasing external temperature gradient. As the starting point, we consider the case of a single external reservoir already showing prominent results like thermal erasure effects and topological thermal currents. Our results are experimentally accessible with platforms like photonics systems and optical lattices.

| S-EPMC5526937 | biostudies-literature

Quasi-symmetry protected topology in a semi-metal.

Project description:The crystal symmetry of a material dictates the type of topological band structures it may host, and therefore symmetry is the guiding principle to find topological materials. Here we introduce an alternative guiding principle, which we call 'quasi-symmetry'. This is the situation where a Hamiltonian has an exact symmetry at lower-order that is broken by higher-order perturbation terms. This enforces finite but parametrically small gaps at some low-symmetry points in momentum space. Untethered from the restraints of symmetry, quasi-symmetries eliminate the need for fine-tuning as they enforce that sources of large Berry curvature will occur at arbitrary chemical potentials. We demonstrate that a quasi-symmetry in the semi-metal CoSi stabilizes gaps below 2 meV over a large near-degenerate plane that can be measured in the quantum oscillation spectrum. The application of in-plane strain breaks the crystal symmetry and gaps the degenerate point, observable by new magnetic breakdown orbits. The quasi-symmetry, however, does not depend on spatial symmetries and hence transmission remains fully coherent. These results demonstrate a class of topological materials with increased resilience to perturbations such as strain-induced crystalline symmetry breaking, which may lead to robust topological applications as well as unexpected topology beyond the usual space group classifications.

| S-EPMC7613062 | biostudies-literature

Observation of symmetry-protected topological band with ultracold fermions.

Project description:Symmetry plays a fundamental role in understanding complex quantum matter, particularly in classifying topological quantum phases, which have attracted great interests in the recent decade. An outstanding example is the time-reversal invariant topological insulator, a symmetry-protected topological (SPT) phase in the symplectic class of the Altland-Zirnbauer classification. We report the observation for ultracold atoms of a noninteracting SPT band in a one-dimensional optical lattice and study quench dynamics between topologically distinct regimes. The observed SPT band can be protected by a magnetic group and a nonlocal chiral symmetry, with the band topology being measured via Bloch states at symmetric momenta. The topology also resides in far-from-equilibrium spin dynamics, which are predicted and observed in experiment to exhibit qualitatively distinct behaviors in quenching to trivial and nontrivial regimes, revealing two fundamental types of spin-relaxation dynamics related to bulk topology. This work opens the way to expanding the scope of SPT physics with ultracold atoms and studying nonequilibrium quantum dynamics in these exotic systems.

| S-EPMC5825217 | biostudies-literature

Symmetry-protected ideal Weyl semimetal in HgTe-class materials.

Project description:Ideal Weyl semimetals with all Weyl nodes exactly at the Fermi level and no coexisting trivial Fermi surfaces in the bulk, similar to graphene, could feature deep physics such as exotic transport phenomena induced by the chiral anomaly. Here, we show that HgTe and half-Heusler compounds, under a broad range of in-plane compressive strain, could be materials in nature realizing ideal Weyl semimetals with four pairs of Weyl nodes and topological surface Fermi arcs. Generically, we find that the HgTe-class materials with nontrivial band inversion and noncentrosymmetry provide a promising arena to realize ideal Weyl semimetals. Such ideal Weyl semimetals could further provide a unique platform to study emergent phenomena such as the interplay between ideal Weyl fermions and superconductivity in the half-Heusler compound LaPtBi.

| S-EPMC4822222 | biostudies-literature

Symmetry-protected metallic and topological phases in penta-materials.

Project description:We analyze the symmetry and topological features of a family of materials closely related to penta-graphene, derived from it by adsorption or substitution of different atoms. Our description is based on a novel approach, called topological quantum chemistry, that allows to characterize the topology of the electronic bands, based on the mapping between real and reciprocal space. In particular, by adsorption of alkaline (Li or Na) atoms we obtain a nodal line metal at room temperature, with a continuum of Dirac points around the perimeter of the Brillouin zone. This behavior is also observed in some substitutional derivatives of penta-graphene, such as penta-PC2. Breaking of time-reversal symmetry can be achieved by the use of magnetic atoms; we study penta-MnC2, which also presents spin-orbit coupling and reveals a Chern insulator phase. We find that for this family of materials, symmetry is the source of protection for metallic and nontrivial topological phases that can be associated to the presence of fractional band filling, spin-orbit coupling and time-reversal symmetry breaking.

| S-EPMC6726764 | biostudies-literature

Digital quantum simulation of Floquet symmetry-protected topological phases.

Project description:Quantum many-body systems away from equilibrium host a rich variety of exotic phenomena that are forbidden by equilibrium thermodynamics. A prominent example is that of discrete time crystals1-8, in which time-translational symmetry is spontaneously broken in periodically driven systems. Pioneering experiments have observed signatures of time crystalline phases with trapped ions9,10, solid-state spin systems11-15, ultracold atoms16,17 and superconducting qubits18-20. Here we report the observation of a distinct type of non-equilibrium state of matter, Floquet symmetry-protected topological phases, which are implemented through digital quantum simulation with an array of programmable superconducting qubits. We observe robust long-lived temporal correlations and subharmonic temporal response for the edge spins over up to 40 driving cycles using a circuit of depth exceeding 240 and acting on 26 qubits. We demonstrate that the subharmonic response is independent of the initial state, and experimentally map out a phase boundary between the Floquet symmetry-protected topological and thermal phases. Our results establish a versatile digital simulation approach to exploring exotic non-equilibrium phases of matter with current noisy intermediate-scale quantum processors21.

| S-EPMC9300455 | biostudies-literature

Two-qubit quantum gate and entanglement protected by circulant symmetry.

Project description:We propose a method for the realization of the two-qubit quantum Fourier transform (QFT) using a Hamiltonian which possesses the circulant symmetry. Importantly, the eigenvectors of the circulant matrices are the Fourier modes and do not depend on the magnitude of the Hamiltonian elements as long as the circulant symmetry is preserved. The QFT implementation relies on the adiabatic transition from each of the spin product states to the respective quantum Fourier superposition states. We show that in ion traps one can obtain a Hamiltonian with the circulant symmetry by tuning the spin-spin interaction between the trapped ions. We present numerical results which demonstrate that very high fidelity can be obtained with realistic experimental resources. We also describe how the gate can be accelerated by using a "shortcut-to-adiabaticity" field.

| S-EPMC7081313 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data