96159-02-3

Upstream product

• 19429-87-9 α,α-diethoxy-N,N-dimethylbenzenemethanamine 
• 865-47-4 potassium tert-butylate 
• 100-44-7 benzyl chloride 
• 100-39-0 benzyl bromide 
• 100-47-0 benzonitrile 
• 106-65-0 Dimethyl succinate 
• 108472-45-3 N,N'-Bis-[1-dimethylamino-1-phenyl-meth-(E)-ylidene]-succinamide 
• 54660-00-3 3,6-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-(2H,5H)-dione 

Downstream Products

• 104616-26-4 1,4-dithioketo-3,6-diphenyl-pyrrolo-<3,4-c>-pyrrole 
• 108472-40-8 1,4-Bis-ethylsulfanyl-3,6-diphenyl-pyrrolo[3,4-c]pyrrole 
• 108472-42-0 2-(4-Ethylsulfanyl-3,6-diphenyl-5H-pyrrolo[3,4-c]pyrrol-1-ylidene)-malononitrile 
• 108472-46-4 2,5-Dibenzyl-3,6-diphenyl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dithione 
• 108472-47-5 2-(1,4-Bis-ethylsulfanyl-3,6-diphenyl-1,5-dihydro-pyrrolo[3,4-c]pyrrol-1-yl)-malononitrile 
• 108472-48-6 2-Cyano-3-[4-(2,2-dicyano-1-ethylsulfanyl-vinyl)-2-ethylsulfanyl-5-phenyl-1H-pyrrol-3-yl]-3-phenyl-acrylonitrile 

Relevant academic research and scientific papers

Impact of systematic structural variation on the energetics of π-π Stacking interactions and associated computed charge transfer integrals of crystalline diketopyrrolopyrroles

Control over solid state structure is critical for effective performance in optoelectronic devices bearing π-conjugated charge mediating organic materials. A series of five structurally related N-benzyl-substituted diketopyrrolopyrroles (DPPs) differing solely in 2 out their 60 atoms were synthesized and crystal structures obtained. Systematic variation of the long axis aligned, π-π stacks has been identified within the single crystal structure series and intermolecular interaction energies and charge transfer integrals for the π-π stacks have been computed by means of density functional theory (M06-2X/6-311G(d)). The computed intermolecular interaction energies as well as charge transfer integrals were further investigated utilizing a series of systematically cropped dimer pairs, highlighting the crucial role of the benzyl/halo substitution on stabilization of these π-π dimers. Two of the DPPs, including a new polymorph of a previously reported structure exhibit twice the intermolecular interaction energy and comparable hole transfer integrals to Rubrene, one of the most efficient hole conducting materials known. The computed properties for all of the π-π dimer systems reported herein are consistent with trends predicted by a model system. As such these materials show great promise as charge mediators in organic electronic applications and may be exploited in systematic structure activity based investigations of charge transfer theory.

Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: Exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency

Sensitive optical detection of nitroaromatic vapours with diketopyrrolopyrrole thin films is reported for the first time and the impact of thin film crystal structure and morphology on fluorescence quenching behaviour demonstrated. This journal is

N-substituted 1,4-diketopyrrolo-[3,4-c]-pyrroles

Compounds of the formula STR1 in which R1 and R2 are unsubstituted or substituted phenyl or naphthyl, and R3 and R4 are alkyl, alkoxycarbonyl, phenyl, benzoyl or benzyl, are suitable for dyeing high molecular we