Mapping the configuration dependence of electronic coupling in organic semiconductors

2016 ◽  
Vol 4 (17) ◽  
pp. 3825-3832 ◽  
Author(s):  
Karl J. Thorley ◽  
Chad Risko
Keyword(s):  
Solid State ◽  
Organic Semiconductors ◽  
Materials Design ◽  
Molecular Packing ◽  
Electronic Coupling

The varied topography of intermolecular electronic coupling offers a wide-ranging materials design landscape to engineer solid-state molecular packing for new generations of organic semiconductors.

On the impact of isomer structure and packing disorder in thienoacene organic semiconductors

2016 ◽  
Vol 4 (18) ◽  
pp. 4040-4048 ◽  
Author(s):  
Karl J. Thorley ◽  
Chad Risko
Keyword(s):  
Solid State ◽  
Organic Semiconductors ◽  
Model Compound ◽  
Molecular Packing ◽  
Electronic Coupling ◽  
Wide Range ◽  
The Impact ◽  
Key Parameter

Using benzodithiophene as a model compound, the concept of the disordermer is introduced to discuss how intermolecular isomerism in the solid state can result in a wide range of available molecular packing arrangements that in turn influence the magnitude of the electronic coupling, a key parameter of importance to the performance of organic semiconductors.

Imidazole Promoted Efficient Anomerization of β-D-Glucose Pentaacetate in Organic Solutions and Solid State

2019 ◽  
Author(s):  
Meifeng Wang ◽  
Liyin Zhang ◽  
Yiqun Li ◽  
Liuqun Gu
Keyword(s):  
Solid State ◽  
Organic Solvents ◽  
Room Temperature ◽  
Materials Design ◽  
The Future ◽  
Organic Solutions ◽  
Glucose Pentaacetate

<p></p>Anomerization of glycosides were rarely performed under basic condition due to lack of efficiency. Here an imidazole promoted anomerization of β-D-glucose pentaacetate was developed; and reaction could proceed in both organic solvents and solid state at room temperature. Although mechanism is not yet clear, this unprecedent mild anomerization in solid state may open a new promising way for stereoseletive anomerization of broad glucosides and materials design in the future..

Garnet-Based Solid-State Li Batteries: From Materials Design to Battery Architecture

2021 ◽  
pp. 1920-1941
Author(s):  
Sara Abouali ◽  
Chae-Ho Yim ◽  
Ali Merati ◽  
Yaser Abu-Lebdeh ◽  
Venkataraman Thangadurai
Keyword(s):  
Solid State ◽  
Materials Design ◽  
Li Batteries

scholarly journals Mesomorphic Behavior in Silver(I) N-(4-Pyridyl) Benzamide with Aromatic π–π Stacking Counterions

Materials ◽  
2018 ◽  
Vol 11 (9) ◽  
pp. 1666 ◽  
Author(s):  
Issac Torres ◽  
Mauro Ruiz ◽  
Hung Phan ◽  
Noemi Dominguez ◽  
Jacobo Garcia ◽  
...  
Keyword(s):  
Solid State ◽  
Organic Semiconductors ◽  
Flexible Electronics ◽  
Crystalline Solid ◽  
Naval Research ◽  
Scanning Calorimetry ◽  
New Family ◽  
Π Stacking ◽  
Capable Groups ◽  
New Generation

Organic semiconductor materials composed of π–π stacking aromatic compounds have been under intense investigation for their potential uses in flexible electronics and other advanced technologies. Herein we report a new family of seven π–π stacking compounds of silver(I) bis-N-(4-pyridyl) benzamide with varying counterions, namely [Ag(NPBA)2]X, where NPBA is N-(4-pyridyl) benzamine, X = NO3− (1), ClO4− (2), CF3SO3− (3), PF6− (4), BF4− (5), CH3PhSO3− (6), and PhSO3− (7), which form extended π−π stacking networks in one-dimensional (1D), 2D and 3D directions in the crystalline solid-state via the phenyl moiety, with average inter-ring distances of 3.823 Å. Interestingly, the counterions that contain π–π stacking-capable groups, such as in 6 and 7, can induce the formation of mesomorphic phases at 130 °C in dimethylformamide (DMF), and can generate highly branched networks at the mesoscale. Atomic force microscopy studies showed that 2D interconnected fibers form right after nucleation, and they extend from ~30 nm in diameter grow to reach the micron scale, which suggests that it may be possible to stop the process in order to obtain nanofibers. Differential scanning calorimetry studies showed no remarkable thermal behavior in the complexes in the solid state, which suggests that the mesomorphic phases originate from the mechanisms that occur in the DMF solution at high temperatures. An all-electron level simulation of the band gaps using NRLMOL (Naval Research Laboratory Molecular Research Library) on the crystals gave 3.25 eV for (1), 3.68 eV for (2), 1.48 eV for (3), 5.08 eV for (4), 1.53 eV for (5), and 3.55 eV for (6). Mesomorphic behavior in materials containing π–π stacking aromatic interactions that also exhibit low-band gap properties may pave the way to a new generation of highly branched organic semiconductors.

Surface equilibration mechanism controls the molecular packing of glassy molecular semiconductors at organic interfaces

2021 ◽  
Vol 118 (42) ◽  
pp. e2111988118
Author(s):  
Marie E. Fiori ◽  
Kushal Bagchi ◽  
Michael F. Toney ◽  
M. D. Ediger
Keyword(s):  
Organic Semiconductors ◽  
Physical Vapor Deposition ◽  
Liquid Crystalline ◽  
Glass Structure ◽  
Organic Substrate ◽  
Molecular Packing ◽  
Organic Interfaces ◽  
Superlattice Structures ◽  
Liquid Crystalline Materials ◽  
Underlying Substrate

Glasses prepared by physical vapor deposition (PVD) are anisotropic, and the average molecular orientation can be varied significantly by controlling the deposition conditions. While previous work has characterized the average structure of thick PVD glasses, most experiments are not sensitive to the structure near an underlying substrate or interface. Given the profound influence of the substrate on the growth of crystalline or liquid crystalline materials, an underlying substrate might be expected to substantially alter the structure of a PVD glass, and this near-interface structure is important for the function of organic electronic devices prepared by PVD, such as organic light-emitting diodes. To study molecular packing near buried organic–organic interfaces, we prepare superlattice structures (stacks of 5- or 10-nm layers) of organic semiconductors, Alq3 (Tris-(8-hydroxyquinoline)aluminum) and DSA-Ph (1,4-di-[4-(N,N-diphenyl)amino]styrylbenzene), using PVD. Superlattice structures significantly increase the fraction of the films near buried interfaces, thereby allowing for quantitative characterization of interfacial packing. Remarkably, both X-ray scattering and spectroscopic ellipsometry indicate that the substrate exerts a negligible influence on PVD glass structure. Thus, the surface equilibration mechanism previously advanced for thick films can successfully describe PVD glass structure even within the first monolayer of deposition on an organic substrate.

Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6

CrystEngComm ◽  
2019 ◽  
Vol 21 (39) ◽  
pp. 5931-5946 ◽  
Author(s):  
Tamara A. Vaganova ◽  
Yurij V. Gatilov ◽  
Enrico Benassi ◽  
Igor P. Chuikov ◽  
Denis P. Pishchur ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Structure ◽  
Crystal Packing ◽  
Molecular Packing ◽  
Solid State Fluorescence

Relationship between the hetarylamine chemical structure, crystal packing in homo- and co-crystals, and fluorescence effects (quenching, bathochromic and hypsochromic shifts).

Tuning cation-binding selectivity and capacity via side chain-dependent molecular packing in the solid state

2016 ◽  
Vol 52 (68) ◽  
pp. 10361-10364 ◽  
Author(s):  
Jie Shen ◽  
Changliang Ren ◽  
Huaqiang Zeng
Keyword(s):  
Solid State ◽  
Molecular Packing ◽  
Cation Binding ◽  
Side Chain ◽  
Binding Selectivity ◽  
Selectivity And Capacity

Cavity-containing macrocycles assemble, via side chain-dependent molecular packing, into various nanostructures able to bind cations in varying selectivities and capacities.

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