science-softCon uv/vis+ spectra data base;		www.uv-spectra.de; (C) science-softCon 2016

Substance: 2,4,6-trinitrotoluene			Other Names: TNT; 2-methyl-1,3,5-trinitrobenzene

Formula: C7H5N3O6					CAS-No.: 118-96-7	PubChem: CID 11763

Study: uv absorption spectrum

                
Authors: J.K. Cooper, C.D. Grant, J.Z. Zhang

Title: Experimental and TD-DFT Study of Optical Absorption of Six Explosive Molecules: RDX, HMX, PETN, TNT, TATP, and HMTD

Journal/Source: J. Phys. Chem. A, 117 (29), 6043-6051, (2013); DOI: 10.1021/jp312492v


Data: table, diagram

Energy/Wavelength range: 200 - 400 nm

Resolution: 

Temperature: 298 K

Temperature dependence: no

Pressure/Concentration: 

Phase: solution (acetonitrile)

pH: 


Comments: The theoretical results were compared to experimental UV-vis absorption spectra measured in acetonitrile. 

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