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Issue 22, 2011
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High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone

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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.

Graphical abstract: High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone

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Publication details

The article was received on 16 Jun 2011, accepted on 22 Aug 2011 and first published on 20 Sep 2011


Article type: Paper
DOI: 10.1039/C1CE05742A
Citation: CrystEngComm, 2011,13, 6845-6849
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    High pressure modification of organic NLO materials: large conformational re-arrangement of 4-aminobenzophenone

    E. Marelli, N. Casati, F. Gozzo, P. Macchi, P. Simoncic and A. Sironi, CrystEngComm, 2011, 13, 6845
    DOI: 10.1039/C1CE05742A

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