Search results for "Charge"

showing 10 items of 4686 documents

Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material …

2019

This present work undertakes the study of a novel organic–inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room temperature and structurally studied by the single crystal X-ray diffraction method. (C10H15N2)2H2P2O7 crystallizes in the triclinic system with the non-centrosymmetric space group P1 with the following lattice parameters: a = 5.9159(2) Å, b = 13.8451(6) Å, c = 14.5973(5) Å, ? = 74.507(2)°, ? = 89.980(2)°, ? = 89.231(2)° with V = 1152.06(8) Å3 and Z = 2. The X-ray structural analysis supported by a detailed Hirshfeld 2D fingerprint plots has been performed to elucidate the different inter-contacts in the crystal structure mainly associate…

crystal structure010405 organic chemistryChemistryOrganic ChemistryMulliken chargesCrystal structureTriclinic crystal systemMEP010402 general chemistry01 natural sciencesDFT0104 chemical sciencesAnalytical Chemistrynon-centrosymmetric hybrid materialInorganic ChemistryCrystallographyMolecular vibrationNon–centrosymmetric hybrid materialDensity functional theoryHOMO-LUMOGround stateMulliken population analysisSingle crystalSpectroscopyBasis set
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Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates

2021

A comparative structural study of two related donor–acceptor pyridine-based BF2 complexes, namely, 3-(dimethylamino)-1,1-difluoro-1H-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium-1-uide, C8H10BF2N3O (1), and 3-{(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dien-1-yl}-1,1-difluoro-1H-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium-1-uide, C18H18BF2N3O (2), containing a dimethylamino group and either the shortest (in 1) or the longest (in 2) charge-transfer path known until now in this family of compounds, is presented. Single-crystal X-ray diffraction analysis supported by computational investigations shed more light on these systems, indicating, among other aspects, the predominance of C—H...F cont…

crystal structureChemistrycharge transferCharge (physics)Extension (predicate logic)Crystal structureConjugated systemCondensed Matter PhysicsMolecular physicsInorganic ChemistryElectron density distributionTransfer (group theory)borininiumfluoro­boratecom­putational chemistryMaterials ChemistryPhysical and Theoretical ChemistryActa Crystallographica Section C Structural Chemistry
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Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide

2019

TARAMAPUBMED TARAMASCOPUS TARAMAWOS In the cation of the title salt, C16H15FN3S+·Br−, the phenyl ring is disordered over two sets of sites with a refined occupancy ratio of 0.503 (4):0.497 (4). The mean plane of the thia­zolidine ring makes dihedral angles of 13.51 (14), 48.6 (3) and 76.5 (3)° with the fluoro­phenyl ring and the major- and minor-disorder components of the phenyl ring, respectively. The central thia­zolidine ring adopts an envelope conformation. In the crystal, centrosymmetrically related cations and anions are linked into dimeric units via N—H...Br hydrogen bonds, which are further connected by weak C—H...Br hydrogen bonds into chains parallel to [110]. Hirshfeld surface an…

crystal structureStackingCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesCrystalHirshfeld surface analysis.chemistry.chemical_compoundBromideThia­zolidine ringcharge assisted hydrogen bondingHirshfeld surface analysisGeneral Materials ScienceBenzeneCrystallography010405 organic chemistryHydrogen bondIminiumdisorderGeneral ChemistryCondensed Matter::Mesoscopic Systems and Quantum Hall EffectCondensed Matter Physics0104 chemical sciencesCrystallographychemistryQD901-999thiazolidine ringActa Crystallographica Section E Crystallographic Communications
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The NUMEN project @ LNS : Status and perspectives

2017

The aim of the NUMEN project is to access the Nuclear Matrix Elements (NME), involved in the half life of the neutrinoless double beta decay (0νββ), by measuring the cross sections of Heavy Ions (HI) induced Double Charge Exchange (DCE) reactions with high accuracy. First evidence of the possibility to get quantitative information about NME from experiments is shown in the reaction 40Ca(18O,18Ne)40Ar at 270 MeV, performed with MAGNEX spectrometer using Superconducting Cyclotron (CS) beams at INFN - Laboratory Nazionali del Sud (LNS) in Catania. Preliminary tests on 116Sn and 116Cd target are already performed. High beam intensity is the new frontiers for these studies. peerReviewed

cyclotrons nuclear structurespektroskopiaradioactive decaycharge exchange reactions
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"fig5: ratio of proton dAu" of "Spectra and ratios of identified particles in Au+Au and d+Au collisions at sqrt(s_{NN})=200 GeV"

2020

dAu Ratio proton versus $p_T$

d AU --> CHARGED X200.0
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"fig7: ratio of kaon/pion dAu" of "Spectra and ratios of identified particles in Au+Au and d+Au collisions at sqrt(s_{NN})=200 GeV"

2020

dAu Ratio $kaon/\pi$ versus $p_T$

d AU --> CHARGED X200.0
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"fig9: ratio of proton/pion dAu" of "Spectra and ratios of identified particles in Au+Au and d+Au collisions at sqrt(s_{NN})=200 GeV"

2020

dAu Ratio $p/\pi$ versus $p_T$

d AU --> CHARGED X200.0
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"fig12: rda proton" of "Spectra and ratios of identified particles in Au+Au and d+Au collisions at sqrt(s_{NN})=200 GeV"

2020

dAu proton $R_{dA}$ versus $p_T$ (Uncertainity type C is not included)

d AU --> CHARGED X200.0
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"fig12: rda pion" of "Spectra and ratios of identified particles in Au+Au and d+Au collisions at sqrt(s_{NN})=200 GeV"

2020

dAu pion $R_{dA}$ versus $p_T$ (Uncertainity type C is not included)

d AU --> CHARGED X200.0
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"fig12: rda kaon" of "Spectra and ratios of identified particles in Au+Au and d+Au collisions at sqrt(s_{NN})=200 GeV"

2020

dAu kaon $R_{dA}$ versus $p_T$ (Uncertainity type C is not included)

d AU --> CHARGED X200.0
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