Search results for "planarity"
showing 10 items of 59 documents
"Table 16" of "Tuning and test of fragmentation models based on identified particles and precision event shape data."
1996
Aplanarity distribution. Corrected to final state particles.
"Table 2" of "Studies of quantum chromodynamics with the ALEPH detector"
1997
Charged particle aplanarity distribution.
"Table 17" of "Tuning and test of fragmentation models based on identified particles and precision event shape data."
1996
Planarity distribution. Corrected to final state particles.
First Annelated Azaphosphole-Ferrocenes: Synthetic Pathways and Structures
2012
The first annelated bis- and mono-3H-1,3-azaphosphole ferrocene sandwich compounds have been synthesized from aminoferrocenes, and their X-ray structures are compared to those of their selenide-protected P═Se analogues, showing net discrepancies both in metallocene backbone conformation and in fused-ring planarity.
cis-Bis(2-sulfidopyridine N-oxide)platinum(II).
2007
In the crystal structure of the title complex, [Pt(C5H4NOS)2], the Pt atom is coordinated by two O atoms and two S atoms in a cis configuration, forming a distorted square-planar coordination geometry. The molecule exhibits pseudo-C2v symmetry and is essentially planar, with a maximum deviation from planarity of 0.0124 (2) Å. The dihedral angle between the two pyridine rings is 5.85 (2)°.
3,5-diphenyl-1,2,4-triazin-6(1H)-one: synthesis, and X-ray and DFT-calculated structures.
2012
The title compound, C15H11N3O, (I), was obtained by the air oxidation of 3,5-diphenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one. In the crystal structure, (I) forms centrosymmetric hydrogen-bonded dimers through pairs of N—H...N hydrogen bonds. The molecular structure of (I) deviates somewhat from planarity in the crystalline state, whereas a density functional theory (DFT) study predicts a completely planar conformation (Cspoint-group symmetry) for the isolated molecule. The solid-state conformation of (I) is stabilized by intramolecular hydrogen bonds,viz.one C—H...O interaction, which forms a six-membered ring, and three C—H...N interactions that each form five-membered rings. To estimate the …
Aromaticity and planarity of zinc phthalocyanine (ZnPc) characterized by splitting of NICS(1) index
2018
The planarity of zinc phthalocyanine (ZnPc) in the gas phase and water, with solute-solvent interactions modeled by polarized continuum model (PCM), has been characterized with new indexes of aromaticity. The aromaticity of individual ring subunits of ZnPc molecule was studied on the basis of nucleus independent chemical shift index (NICS) above and below the molecular plane. Density functional theory (DFT) with selected Pople-type basis sets was used to study the local aromaticity. The calculated NICS(1) and NICS(-1) indexes of aromaticity for a non-planar ZnPc molecule in the polar environment are significantly different.
Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms
2018
The main asset of small molecules for application in organic electronics lies in the tunability of their electronic properties owing to the precise control of their molecular design. Semiconducting properties in organic compounds are for instance closely linked to the molecular planarity degree, including when considering various redox states. Among those species, the π-extended TTF (exTTF: 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene) presents fascinating redox and structural properties, which have been extensively studied in various fields of organic electronics. Here we show that S-exTTF, a sulfur enriched π-isoelectronic dithieno analogue of pristine exTTF, synthesized through…
Observation of light-by-light scattering in ultraperipheral Pb+Pb collisions with the ATLAS detector
2019
This Letter describes the observation of the light-by-light scattering process, γγ→γγ, in Pb+Pb collisions at √sNN=5.02 TeV. The analysis is conducted using a data sample corresponding to an integrated luminosity of 1.73 nb−1, collected in November 2018 by the ATLAS experiment at the LHC. Light-by-light scattering candidates are selected in events with two photons produced exclusively, each with transverse energy EγT>3 GeV and pseudorapidity |ηγ|<2.4, diphoton invariant mass above 6 GeV, and small diphoton transverse momentum and acoplanarity. After applying all selection criteria, 59 candidate events are observed for a background expectation of 12±3 events. The observed excess of events…
Concentration depending fluorescence of 8-(di-(2-picolyl)) aminoBODIPY in solution
2014
[EN] An 8-dipicolylBODIPY derivative has been prepared and its photophysical properties evaluated under different conditions. Two different structures, hemicyanine and cyanine, are observed (depending on the solvent or the solution concentration). The hemicyanine form is not emissive whereas the cyanine form is fluorescent. This behavior is related with the planarity degree of the BODIPY core. The X-ray structure of the compound is reported and it shows that in solid state the hemicyanine form is present. The hemicyanine form seems to be stabilized by aggregation and is the main compound in concentrated solutions whereas the cyanine form is present in diluted solutions that are photochemica…