Search results for "5-Dinitrobenzoic acid"

showing 4 items of 4 documents

Unravelling substitution effects on charge transfer characteristics in cocrystals of pyrene based donors and 3,5-dinitrobenzoic acid

2019

Here we report charge-transfer cocrystals composed of pyrene and amino/bromopyrene as π-donors (D) and 3,5-dinitrobenzoic acid (A) as a π-acceptor. The 1 : 1 cocrystals of pyrene/1-aminopyrene adopt a ⋯DADADA⋯ mixed stack arrangement whereas the 2 : 1 cocrystal of 1-bromopyrene and 3,5-dinitrobenzoic acid shows ⋯DDADDA⋯ stacking. Crystallographic, spectral and theoretical studies reveal that the frontier molecular orbital energy level rather than the π-donor strength plays the governing role in predicting charge transfer. In addition, a theoretical study demonstrates that the ambipolar semiconductor nature in cocrystals of the pyrene/aminopyrene donor and the p-type nature of bromopyrene wi…

Ambipolar diffusionChemistrySupramolecular chemistryStackingCharge (physics)02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesCocrystalAcceptor0104 chemical sciencesCrystallographychemistry.chemical_compoundPyreneGeneral Materials Science0210 nano-technology35-Dinitrobenzoic acidCrystEngComm

researchProduct

CCDC 1909045: Experimental Crystal Structure Determination

2019

Related Article: Arkalekha Mandal, Kari Rissanen, Prasenjit Mal|2019|CrystEngComm|21|4401|doi:10.1039/C9CE00561G

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatespyren-1-amine 35-dinitrobenzoic acid NN-dimethylformamide solvate

researchProduct

CCDC 1909046: Experimental Crystal Structure Determination

2019

Related Article: Arkalekha Mandal, Kari Rissanen, Prasenjit Mal|2019|CrystEngComm|21|4401|doi:10.1039/C9CE00561G

bis(1-bromopyrene) 35-dinitrobenzoic acidSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

CCDC 1576743: Experimental Crystal Structure Determination

2019

Related Article: Arkalekha Mandal, Kari Rissanen, Prasenjit Mal|2019|CrystEngComm|21|4401|doi:10.1039/C9CE00561G

pyrene 35-dinitrobenzoic acid 14-dioxane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates

researchProduct

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