2,4,6-Trinitro-<i>N</i>-[4-(phenyldiazenyl)phenyl]aniline

Smith, Graham; Wermuth, Urs D.

doi:10.1107/s160053681101004x

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2014

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“…Torsion angles of the TNP rings are 23.2° for 1E and 23.0° for 1E′. The crystal structure of 2,4,6-trinitro-N-[4-(phenyldiazenyl) phenyl] aniline shows the similar geometry of the TNP ring with the torsion angle of 27.7° [14]. …”

Section: Resultsmentioning

confidence: 99%

Theoretical and Experimental Studies of N,N-Dimethyl-N′-Picryl-4,4′-Stilbenediamine

Papper

Kharlanov

et al. 2014

J Fluoresc

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N,N-dimethyl-N′-picryl-4,4′-stilbenediamine (DMPSDA) was prepared, purified and crystallised in a form of black lustrous crystals, and its absorption and fluorescence spectra were recorded in cyclohexane, acetonitrile and dimethyl sulfoxide. Non-emissive intramolecular charge transfer state (ICT) was clearly observed in this molecule in all three solvents. Theoretical calculations demonstrating a betaine electronic structure of the trinitrophenyl group in the ground state of the molecule and a charge transfer nature of the long wavelength transition S0 → S1 supported the experimental observations of the ICT formation in the molecule.

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Section: Resultsmentioning

confidence: 99%