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Color center creation by dipole stacking in crystals of 2-meth-oxy-5-nitro-aniline.

作者信息

Filley Jonathan

机构信息

Oligometrics, Inc., 2510 47th Street, Suite 208, Boulder, CO, 80301, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Sep 10;80(Pt 10):1003-1005. doi: 10.1107/S2056989024008739. eCollection 2024 Sep 1.

DOI:10.1107/S2056989024008739
PMID:39372170
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11451495/
Abstract

This work describes the X-ray structure of orange-red crystals of 2-meth-oxy-5-nitro-aniline, CHNO. 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 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.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/62184f6b85e1/e-80-01003-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/3f6587fe4651/e-80-01003-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/700a5b9a0e10/e-80-01003-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/62184f6b85e1/e-80-01003-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/3f6587fe4651/e-80-01003-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/700a5b9a0e10/e-80-01003-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/04a0/11451495/62184f6b85e1/e-80-01003-fig3.jpg

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