Search results for "Geometry"
showing 10 items of 4487 documents
Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy from two-dimensional materials
2020
Orbital polarization and Berry curvature signatures are mapped out by circular dichroism in angle-resolved photoemission.
Digitiform Sensilla on the Maxillar Palp of Coleoptera
1981
The fine structure of the digitiform sensilla on the distal segment of the maxillar palps of Tenebrio and Dermestes is described. Each sensillum is associated with a single sensory cell and three enveloping cells, which enclose two receptor lymph cavities. The inner receptor lymph cavity of both species shows a different structural feature. Branches of the outer dendritic segments, which contain numerous microtubules, run to the tip of the hairshaft. A dendritic sheath extends to the apex of the peg. The hairshaft possesses a second canal, which is free of dendrites. The poreless hairshaft is inserted in a cuticular canal; the longer distal part of the shaft is positioned in a narrow superf…
NMR Spectroscopic Evidence for the Intermediacy of XeF3− in XeF2/F− Exchange, Attempted Syntheses and Thermochemistry of XeF3− Salts, and Theoretical…
2010
The existence of the trifluoroxenate(II) anion, XeF(3)(-), had been postulated in a prior NMR study of the exchange between fluoride ion and XeF(2) in CH(3)CN solution. The enthalpy of activation for this exchange, ΔH(⧧), has now been determined by use of single selective inversion (19)F NMR spectroscopy to be 74.1 ± 5.0 kJ mol(-1) (0.18 M) and 56.9 ± 6.7 kJ mol(-1) (0.36 M) for equimolar amounts of [N(CH(3))(4)][F] and XeF(2) in CH(3)CN solvent. Although the XeF(3)(-) anion has been observed in the gas phase, attempts to prepare the Cs(+) and N(CH(3))(4)(+) salts of XeF(3)(-) have been unsuccessful, and are attributed to the low fluoride ion affinity of XeF(2) and fluoride ion solvation in…
Island Homoaromaticity in the W-Shaped 2,4-Diphospha-3-arsapentadienide Anion and Related Compounds - Theoretical and Experimental Investigations
2012
A series of anions with general formula (R2C=P)2Pn– (Pn = N, P, As, Sb; R = H, Me, CF3, SiH3, SiMe3, SiF3) was investigated theoretically at the DFT (RI-BP86/TZVP) and RI-MP2/TZVP levels of approximation. Significantly sharpened central PPnP bond angles were predicted for the species with π-acceptor R substituents. The corresponding bond angle values decrease in the order Pn = N >> P > As > Sb. This finding is in agreement with the previously published structural data for [(Me3Si)2C=P]2P–. An island homoaromaticity was proposed as a suitable explanation for the observed effect. In more detail, it consists of shifting negative charge to the electron-withdrawing terminal groups with formation…
The Crucial Role of Polyatomic Anions in Molecular Architecture: Structural And Magnetic Versatility of Five Nickel(II) Complexes Derived from A N,N,…
2009
Five new nickel(II) complexes [Ni(2)L(2)(N(3))(2)(H(2)O)(2)] (1), [Ni(2)L(2)(NO(3))(2)] (2), [Ni(2)L(2)(O(2)CPh)(CH(3)OH)(2)]ClO(4).0.5CH(3)OH (3), [Ni(3)L(2)(O(2)CPh)(4)] (4), and [Ni(2)L(2)(NO(2))(2)](n) (5) have been synthesized by using a tridentate Schiff base ligand, HL (2-[(3-Methylamino-propylimino)-methyl]-phenol), and the polyatomic monoanions N(3)(-), NO(3)(-), PhCOO(-), or NO(2)(-). The complexes have been structurally and magnetically characterized. The structural analysis reveals that in all five complexes, the Ni(II) ions possess a distorted octahedral geometry. Complexes 1 and 2 are dinuclear with di-mu-1,1-azido and di-mu(2)-phenoxo bridges, respectively. Complex 3 is also …
Influence of the anions on the structure and magnetic properties of a series of bis(µ-diphexono)-bridged linear trinuclear copper(II) complexes: an e…
2011
The reaction of H(2)L (N,N'-dimethyl-N,N'-bis(2-hydroxy-3-methoxy-5-methylbenzyl)-ethylenediamine) with different copper salts, in methanol and using a H(2)L/Cu = 2 : 3 molar ratio, led to four new bis(μ-diphenoxo)-bridged Cu(3) complexes of general formula [{Cu(S)(μ-L)}(2)Cu(H(2)O)(2n)]X(2) (S = CH(3)OH, n = 1 and X = BF(4)(-) for (1) or ClO(4)(-) for (2); S = Br(3)(-) anion and n = 1 without any X species for (3); S = H(2)O, n = 0 and X = NO(3)(-) for (4)). The use in the same reaction conditions of 4,4'-bipyridine (4,4'-bipy) as connector led to the chain complex [{Cu(μ-4,4'-bipy)(0.5)(μ-L)}(2)Cu(H(2)O)(2n)](ClO(4))(2)·17H(2)O (5). The structure of the centrosymmetric trinuclear unit in …
An environment based approach for the ant colony convergence
2020
Abstract Ant colony optimization (ACO) algorithms are a bio inspired solutions which have been very successful in combinatorial problem solving, also known as NP-hard problems, including transportation system optimization. As opposed to exact methods, which could give the best results of a tested problem, this meta-heuristics is based on the stochastic logic but not on theoretical mathematics demonstration (or only on certain well defined applications). According to this, the weak point of this meta-heuristics is his convergence, its termination condition. We can finds many different termination criteria in the scientific literature, yet most of them are costly in resources and unsuitable f…
Dinuclear and tetranuclear complexes of copper coordinated by an anthracene-based new μ-bis(tridentate) ligand: Synthesis, structure, spectroscopy an…
2016
Abstract Copper(II) complexes of an anthracene-based new μ-bis(tridentate) ligand, N,N′-bis[anthracene-2-ylmethyl]-N,N′-bis[carboxymethyl]-1,3-diaminopropan-2-ol (H3acdp) with mixed donating groups, have been studied in solid state as well as in solution. The reaction of stoichiometric amounts of CuSO4·5H2O and the ligand H3acdp in the presence of NaOH at ambient temperature in methanol-dichloromethane, afforded a new dinuclear copper complex, [Cu2(acdp)(MeO)(MeOH)2] (1). On the other hand, the reaction of stoichiometric amounts of Cu(OAc)2·H2O and the ligand H3acdp in the presence of NaOH at ambient temperature in methanol-dichloromethane yielded, a novel tetranuclear copper complex, [Cu4(…
Organotin(IV) trifluoromethanesulfonates chemistry: Isolation and characterization of a new di-n-butyl derivative presenting a Sn3O3 core
2012
Abstract Reaction of the dimeric hydroxo di-n-butylstannane trifluoromethanesulfonato complex [n-Bu2Sn(OH)(H2O)(CF3SO3)]2 (1) with a mixture of anthracene (C14H10, Ant) and phenazine (C12H8N2, Phz) in dichloromethane at room temperature yielded the novel di-n-butyltin(IV) trifluoromethanesulfonate salt {[n-Bu2Sn(H2O)]2O·n-Bu2Sn(OH)2}(CF3SO3)2 (2), together with the co-crystallization of phenazinium trifluoromethanesulfonate salts ([C12H9N2][CF3SO3], PhzH) collected in the solid state in two distinct self-assembled architectures, 3 and 4, showing π–π stacking interactions, and involving the intercalation of free molecules of phenazine and anthracene, respectively. Complex 2 is a cationic tri…
Effect of molecular geometry and extended conjugation on the performance of hydrogen-bonded semiconductors in organic thin-film field-effect transist…
2021
A general synthetic method has been used for the condensation of the 7-azaindole substructure at both extremes of centrosymmetric fused polyheteroaromatic systems. Four different aromatic spacers (benzene, naphthalene, anthracene and pyrene) that modify the molecular geometry and the π-conjugated surface have proved the ability of 7-azaindole to work as a building block that can control the crystal packing through reciprocal hydrogen bond interactions. Two possible self-assembled columnar arrangements have been observed as a result of the π–π interactions between hydrogen-bonded ribbon-like supramolecular structures. A detailed comparative analysis of the molecular organisation driven by hy…