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Structure of 1,3,5-trichloro-2,4,6-trinitrobenzene

Acta Crystallographica Section C Crystal Structure Communications, 1993
The three formula units in the asymmetric unit are stacked in almost planar layers. The average interlayer distance is 4.062 (6) A, much greater than the normal spacing observed between benzene rings as a result of the large rotation of the nitro groups out of the ring planes by 72.3-88.2 o .
F. Gerard, A. Hardy, A. Becuwe
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A zwitterionic Meisenheimer complex of 2,4,6-trinitrobenzene

Acta Crystallographica Section C Crystal Structure Communications, 1999
In molecules of the zwitterionic Meisenheimer complex 4-(N-pyridiniomethyl)-1,3-dioxolane-2-spiro-1'-2',4',6'-trinitrocyclohexadienide (C 14 H 12 N 4 O 8 ), the nitro groups do not possess equivalent geometries. The C-N bond to the nitro group para to the saturated C atom is shorter than those of the others, and bond lengths vary considerably between ...
O. Ya. Borbulevych   +2 more
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Interaction of 1,3,5-Trinitrobenzene with Ethoxide Ion

Nature, 1959
WHEN a dilute solution of 1,3,5-trinitrobenzene in ethanol is treated with sodium ethoxide, a yellow solution is formed. A similar colour is produced when sodium ethoxide is added to 2,4,6-trinitroanisole. The rates of development of the colours have been studied by Ainscough and Caldin1, who found that there are two colour-producing reactions: (i) a ...
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The behaviour of 1,3,5‐trinitrobenzene in alkaline solution

Recueil des Travaux Chimiques des Pays-Bas, 1954
AbstractNo exchange was observed when sym. trinitrobenzene was dissolved in a solution of NaOH containing heavy water.
J. A. A. Ketelaar, A. Bier, H. T. Vlaar
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The electronic structure and spectrum of sym-trinitrobenzene

Proceedings of the Physical Society, 1964
Self-consistent field molecular orbital calculations have been made for the sym-trinitrobenzene molecule. From the results it is predicted that a Jahn-Teller effect will be present both in the cation and the anion derived from the neutral molecule.
T E Peacock, P T Wilkinson
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ChemInform Abstract: Trifluoromethylation of 1,3,5‐Trinitrobenzene.

ChemInform, 1990
AbstractThe trifluoromethyl anion, generated by thermal decomposition of potassium trifluoroacetate (II), is trapped with 1,3,5‐trinitrobenzene (I), forming the Meisenheimer complex (III) which is characterized by its 1H NMR spectrum.
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A density functional study of s-trinitrobenzene

Journal of Molecular Structure: THEOCHEM, 1998
Abstract The structure and vibrational frequencies were calculated for trinitrobenzene using density functional methods. In order to get better agreement with experiment the calculated frequencies were scaled by factors found in the literature. All of the methods considered indicate that this molecule has D3h symmetry.
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C6H3N3O6, 1,3,5-Trinitrobenzene

2005
G. Graner   +6 more
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Vibration-induced decomposition of trinitrobenzene

Combustion, Explosion and Shock Waves, 1988
N. P. Loginov   +2 more
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