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Color center creation by dipole stacking in crystals of 2-meth-oxy-5-nitro-aniline
1Oligometrics, Inc., 2510 47th Street, Suite 208, Boulder, CO, 80301, USA.
Abstract:
This work describes the X-ray structure of orange-red crystals of 2-meth-oxy-5-nitro-aniline, C7H8N2O3. The compound displays concentration-dependent UV-Vis spectra, which is attributed to dipole-induced aggregation, and light absorption arising from an inter-molecular charge-transfer process that decreases in energy as the degree of aggregation increases. The crystals display π-stacking where the dipole moments align anti-parallel. Stacked mol-ecules inter-act with the next stack via hydrogen bonds, which is a state of maximum aggregation. Light absorption by charge transfer can be compared to colored inorganic semiconductors such as orange-red CdS, with a band gap of 2.0-2.5 eV.
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