Alien Registration- Hendsbee, Lloyd (Madison, Somerset County)

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Alien Registration- Hendsbee, Manford P. (Madison, Somerset County)

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Alien Registration- Armsworthy, Lois M. (Madison, Somerset County)

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Alien Registration- Hendsbee, Jane P. (Madison, Somerset County)

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Applying direct heteroarylation synthesis to evaluate organic dyes as the core component in PDI-based molecular materials for fullerene-free organic solar cells

Direct heteroarylation has emerged as a versatile and powerful tool to access π-conjugated materials through atom-economical Pd-catalyzed carbon–carbon bond forming reactions. Employing this synthetic protocol has enabled the facile evaluation of a series of organic dyes in a PDI-dye-PDI framework. Material properties are largely dictated by the PDI components, but the incorporation of either thienoisoindigo, diketopyrrolopyrrole or isoindigo has been shown to influence the ionization potential and absorption profiles of the final materials. Solution-processable organic solar cell devices were fabricated to investigate the influence of the different dye cores on photovoltaic performance when paired with the donor polymer PTB7-Th. It was found that the diketopyrrolopyrrole-based material out-performed the other organic dyes, demonstrating energy losses of less than 0.6 eV, promising efficiencies when cast from non-halogenated solvents and the ability to dictate self-assembly induced by small volume fractions of the high-boiling solvent additive 1,8-diiodooctane to reach best device efficiencies of 4.1%

1,3-Bis(2,6-diisopropyl­phen­yl)imidazolidinium tetra­phenyl­borate dichloro­methane disolvate

The title compound, C27H39N2 +·C24H20B−·2CH2Cl2, is the first reported imidazolidinium cation with the sterically demanding 2,6-diisopropyl­phenyl groups in the 1,3-positions. The crystal structure is stabilized by weak inter­molecular C—H⋯π(arene) inter­actions. Due to the bulky nature of both the flanking 2,6-diisopropyl­phenyl substituents and the tetra­phenyl­borate counter-ion, anion inter­actions with the imidazolidinium H atom in the 2-position are not observed, also a first for this class of ortho-alkyl-substituted Arduengo-type carbene precursors

1,3-Bis(2,6-diisopropyl­phen­yl)imidazolidin-2-yl­idene

The title compound, C27H38N2, is the first reported free imidazolidin-2-yl­idene carbene with 2,6-diisopropyl­phenyl groups in the 1,3-positions. The five-membered ring adopts a twisted conformation and the dihedral angle between the aromatic rings is 48.81 (6)°. Both isopropyl groups attached to one of the benzene rings are disordered over two sets of sites in 0.74 (2):0.26 (2) and 0.599 (8):0.401 (8) ratios

Hexaaqua­gallium(III) trinitrate trihydrate

The title compound, [Ga(H2O)6](NO3)3·3H2O, is isostructural to other known M III nitrate hydrates (M = Al, Cr, Fe). The structure contains two distinct octa­hedral Ga(OH2)6 units (each of symmetry) which are involved in inter­molecular hydrogen bonding with the three nitrate anions and three water mol­ecules within the asymmetric unit

(η5-Cyclo­penta­dien­yl)[(1,2,3,4,4a,12a-η)-naphtho­[2,3-b][1,4]benzodioxine]iron(II) hexa­fluoridophosphate

At 296 (2) K, both complexed rings in the iron(II) complex cation of the title salt, [Fe(C5H5)(C16H10O2)]PF6, are almost parallel [dihedral angle between planes = 2.4 (3)°]. The quaternary C atoms of the complexed arene ring are located at the longest distance from the Fe atom, with Fe—C distances of 2.112 (4) and 2.105 (3) Å, which are slightly longer than the average Fe—C distance for this ring (2.083 Å). The Fe ion is located 1.660 (1) and 1.543 (1) Å, respectively, from the cyclo­penta­dienyl and the complexed arene ring

Crystal structure of 2-chloro-1,3-bis(2,6-diiso- propylphenyl)-1,3,2-diazaphospholidine 2-oxide

Published versionThe title compound, C26H38ClN2OP, was synthesized by reacting phosphoryl chloride with N,N′-bis­(2,6-diiso­propyl­phen­yl)ethane-1,2-di­amine in the presence of N-methyl­morpholine which acted as an auxilliary base to quench the HCl released as a by-product. The resultant N-heterocyclic phosphine five-membered ring adopts a half-chair conformation and features a tetra­coordinate P atom ligated by the chelating di­amine [P—N = 1.6348 (14) and 1.6192 (14) Å], one double-bonded O atom [P1—O1 = 1.4652 (12) Å] and one Cl atom [P1—Cl1 = 2.0592 (7) Å]. The sterically hindered 2,6-diiso­propyl­phenyl (Dipp) groups twist away from the central heterocycle, with torsion angles of −75.66 (19) and 83.39 (19)° for the P—N—Car—Car links. A number of intra­molecular C—H...N, C—H...O and C—H...Cl close contacts occur. In the crystal, mol­ecules are linked by C—H...O hydrogen bonds to generate [010] chains. C—H...Π inter­actions are also observed