Publications by authors named "Arian E Roa"

A simple synthesis of an ionic liquid is carried out using a trialkylphosphine and an alkyl halide. The results showed that the quality of perovskite crystals is enhanced by the incorporation of BPI, when the percentage is 1.5% the PCE of champion PSCs MA(BPI)PbI increases significantly from 15.

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A new coordination mode for the hybrid scorpionate/cyclopentadienyl ligand bpzcp, [bpzcp = 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethylcyclopentadienyl] is observed in iridium complexes. The reaction of the lithium precursor, [Li(bpzcp)(THF)], with a range of [IrCl(diene)] compounds leads to an unprecedented binding mode of the hybrid scorpionate/cyclopentadienyl ligand as η-Cp-coordinated and the formation of Ir(I) derivatives [Ir(η-Cp-bpzcp)(η-cod)] (1), [Ir(η-Cp-bpzcp){η-CH═C(Me)C(Me)═CH}] (2), [Ir(η-Cp-bpzcp)(η-coe)] (3), and [Ir(η-Cp-bpzcp)(η-CH═CH)] (4). The Ir(I) complex 4 reacts with CO or bromine to afford the compound [Ir(η-Cp-bpzcp)(CO)] (5) and the 18e Ir(III) complex [Ir(κ-N-η-Cp-bpzcpBr)Br] (6), respectively.

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In this work, microwave synthesis, chemical, optical and electrochemical characterization of three small organic molecules, , and with donor-acceptor structure and their use in organic photovoltaic cells are reported. For the synthesis, 5-(2-ethylhexyl)-4-thieno[3,4-]pyrrole-4,6(5)-dione was used as electron withdrawing fragment while the triphenylamine was used as electron donating fragment. Molecular electronic geometry and electronic distribution density were established by density functional theory (DFT) calculations and confirmed by optical and chemical characterization.

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Article Synopsis
  • The text discusses the discovery of a molecular rotor with exceptional sorption abilities despite lacking permanent voids in its crystal structure.
  • Key findings indicate that the presence of benzene molecules in its crystal lattice acts as a rotation stopper, impacting dynamic behavior and molecular movement.
  • The molecular rotor exhibited high uptake for carbon monoxide and acetone due to a combination of restricted rotation at low temperatures and the structural flexibility of its molecular axle.
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Liquid-like dynamics of a covalent 1,4-phenylene rotator have been unveiled in 1 with a brominated stator showing type-II halogen bonds. This singular rotation is favored by synergistic molecular changes in stacked molecules, according to VT solid state NMR, H T relaxometry and VT X-ray experiments of this highly crystalline compound.

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