Search results for "stacking"
showing 10 items of 215 documents
Stacking of Sterically Congested Trifluoromethylated Aromatics in their Crystals – The Role of Weak F···π or F···F Contacts
2020
European journal of organic chemistry : EurJOC 2020(38), 6073-6077 (2020). doi:10.1002/ejoc.202001008
Spin-layer locking of interlayer excitons trapped in moir\'e potentials
2019
Van der Waals heterostructures offer attractive opportunities to design quantum materials. For instance, transition metal dichalcogenides (TMDs) possess three quantum degrees of freedom: spin, valley index, and layer index. Further, twisted TMD heterobilayers can form moir\'e patterns that modulate the electronic band structure according to atomic registry, leading to spatial confinement of interlayer exciton (IXs). Here we report the observation of spin-layer locking of IXs trapped in moir\'e potentials formed in a heterostructure of bilayer 2H-MoSe$_2$ and monolayer WSe$_2$. The phenomenon of locked electron spin and layer index leads to two quantum-confined IX species with distinct spin-…
B-DNA Structure and Stability as Function of Nucleic Acid Composition. Dispersion-Corrected DFT Study of Dinucleoside-Monophosphate Single and Double…
2013
actions of the sugar-phosphate skeleton with water; (6) hydrophobic interactions of the DNA cylindrical core, made up by the hydrogen-bonded and stacked nitrogen bases, with the water solvent. Recently, there has been increasing effort in developing and applying quantum chemical methods able to reproduce the structure of native B-DNA and to correctly describe the energy involved in the intrastrand and interstrand noncovalent interactions between the nucleotide monomers. This topic has been approached by both wave function methods and density functional theory. [2] Water solvent and sodium counterions also play an important role in the formation and relative stabilization of the double-helic…
Size-filtering effects by stacking InAs/InP (001) self-assembled quantum wires into multilayers
2002
Multilayer structure containing vertically stacked InAs/InP self-assembled quantum wires have been successfully grown by molecular-beam epitaxy. The influence of the InP spacer layer thickness on the structural and optical properties of the wire superlattice has been studied by means of transmission electron microscopy and photoluminescence. The coherent propagation of the strain field in the sample with a 5-nm-thick spacer determines by a size filtering effect a good homogeneity and uniformity of the wire stacks, and hence a good optical quality. The exciton recombination dynamics in the wire superlattice cannot be related to thermal escape of carriers out to the barriers, as occurs in sin…
Enantioselective synthesis of fluorinated alpha-amino acids and derivatives in combination with ring-closing metathesis: intramolecular pi-stacking i…
2001
[reaction: see text]. Hydride reduction of C=N bonds stereocontrolled by intramolecular pi-stacking interactions of 1-naphthylsulfinyl and N-aryl groups, nonoxidative Pummerer rearrangement, and ring-closing metathesis are efficiently combined in a highly stereoselective entry to enantiomerically pure cyclic and acyclic fluorinated beta-amino alcohols and alpha-amino acid derivatives, respectively.
A Wavy Two-Dimensional Covalent Organic Framework from Core- Twisted Polycyclic Aromatic Hydrocarbons
2019
A high degree of crystallinity is an essential aspect in two-dimensional covalent organic frameworks, as many properties depend strongly on the structural arrangement of the different layers and their constituents. We introduce herein a new design strategy based on core-twisted polycyclic aromatic hydrocarbon as rigid nodes that give rise to a two-dimensional covalent organic framework with a wavy honeycomb (chairlike) lattice. The concave–convex self-complementarity of the wavy two-dimensional lattice guides the stacking of framework layers into a highly stable and ordered covalent organic framework that allows a full 3D analysis by transmission electron microscopy revealing its chairlike …
Post-buckling analysis of cracked multilayered composite plates by pb-2 Rayleigh–Ritz method
2015
Abstract A pb-2 Rayleigh–Ritz variational approach for the analysis of post-buckling behavior of cracked composite plates is presented. The plate is modeled by the first order shear deformation theory taking geometric nonlinearities into account through the von Karman’s theory. General stacking sequences are considered. Cracks are modeled by using subdomain decomposition of the plate coupled with penalty techniques, used to augment the variational statement with the needed continuity conditions along the connected subdomains edges. Numerical procedures have been developed and used to validate the present solution by comparison with available literature results. Original results are then pre…
Stacking as a key property for creating nanoparticles with tunable shape: The case of squalenoyl-doxorubicin
2019
The development of elongated nanoparticles for drug delivery is of growing interest in recent years, due to longer blood circulation and improved efficacy compared to spherical counterparts. Squalenoyl-doxorubicin (SQ-Dox) conjugate was previously shown to form elongated nanoparticles with improved therapeutic efficacy and decreased toxicity compared to free doxorubicin. By using experimental and computational techniques, we demonstrate here that the specific physical properties of SQ-Dox, which include stacking and electrostatic interactions of doxorubicin as well as hydrophobic interactions of squalene, are involved in the formation of nanoassemblies with diverse elongated structures. We …
Two (E)-2-({[4-(dialkylamino)phenyl]imino}methyl)-4-nitrophenols.
2012
The slow evaporation of analytical NMR samples resulted in the formation of crystals of (E)-2-({[4-(dimethylamino)phenyl]imino}methyl)-4-nitrophenol, C15H15N3O3, (I), and (E)-2-({[4-(diethylamino)phenyl]imino}methyl)-4-nitrophenol, C17H19N3O3, (II). Despite the small structural difference between these twoN-salicylideneaniline derivatives, they show different space groups and diverse molecular packing. The molecules of both compounds are close to being planar due to an intramolecular O—H...N hydrogen bond. The 4-alkylamino-substituted benzene ring is inclined at an angle of 13.44 (19)° in (I) and 2.57 (8)° in (II) with respect to the 4-nitro-substituted phenol ring. Only very weak intermole…
The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis
2014
An enrichment ratio is derived from the decomposition of the crystal contact surface between pairs of interacting chemical species. The propensity of different contact types to form is investigated.