High pressure modification of organic NLO materials: Large conformational re-arrangement of 4-aminobenzophenone
Articolo
Data di Pubblicazione:
2011
Citazione:
High pressure modification of organic NLO materials: Large conformational re-arrangement of 4-aminobenzophenone / E. Marelli, N. Casati, F. Gozzo, P. Macchi, P. Simoncic, A. Sironi. - In: CRYSTENGCOMM. - ISSN 1466-8033. - 13:22(2011), pp. 6845-6849. [10.1039/c1ce05742a]
Abstract:
The high pressure behavior is investigated for the solid state form of 4-aminobenzophenone, an organic NLO chromophore. An iso-symmetric phase transformation is observed above 1.0 GPa and it is characterized by single crystal and powder X-ray diffraction and rationalized with calculations at the Density Functional Theory level, under periodic boundary conditions. The structural changes of the molecule and the packing are correlated with the second harmonic generation of this species. © The Royal Society of Chemistry 2011.
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
E. Marelli, N. Casati, F. Gozzo, P. Macchi, P. Simoncic, A. Sironi
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