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Crystal structure of disordered nanocrystalline αII-quinacridone determined by electron diffraction.

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Title: Crystal structure of disordered nanocrystalline αII-quinacridone determined by electron diffraction.
Authors: Gorelik, T. E.1, Czech, C.2, Hammer, S. M.2, Schmidt, M. U.2
Source: CrystEngComm. 1/28/2016, Vol. 18 Issue 4, p529-535. 7p.
Subjects: Crystal structure, Electron diffraction, Nanocrystals, Hydrogen bonding, Scattering (Physics)
Abstract: The nanocrystalline αII-phase of the industrially produced organic pigment quinacridone was studied by 3D electron diffraction of its crystals with a thickness of only 10 nm. The diffraction data showed strong diffuse scattering along one direction indicating severe stacking disorder. The average crystal structure was obtained from electron diffraction data using direct methods. In αII-quinacridone, the molecules are connected by a pair of hydrogen bonds thereby forming molecular chains, which are stacked, resulting in the formation of layers. The layers exhibit a stacking disorder with a mixture of herringbone and parallel arrangements, which explains the diffuse scattering. The crystal structure was confirmed by dispersion-corrected DFT calculations. [ABSTRACT FROM AUTHOR]
Copyright of CrystEngComm is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 112344888
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  Data: <searchLink fieldCode="JN" term="%22CrystEngComm%22">CrystEngComm</searchLink>. 1/28/2016, Vol. 18 Issue 4, p529-535. 7p.
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  Data: The nanocrystalline αII-phase of the industrially produced organic pigment quinacridone was studied by 3D electron diffraction of its crystals with a thickness of only 10 nm. The diffraction data showed strong diffuse scattering along one direction indicating severe stacking disorder. The average crystal structure was obtained from electron diffraction data using direct methods. In αII-quinacridone, the molecules are connected by a pair of hydrogen bonds thereby forming molecular chains, which are stacked, resulting in the formation of layers. The layers exhibit a stacking disorder with a mixture of herringbone and parallel arrangements, which explains the diffuse scattering. The crystal structure was confirmed by dispersion-corrected DFT calculations. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of CrystEngComm is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1039/c5ce01855b
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        Text: English
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        Type: general
      – SubjectFull: Electron diffraction
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      – SubjectFull: Nanocrystals
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      – SubjectFull: Hydrogen bonding
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      – SubjectFull: Scattering (Physics)
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              Text: 1/28/2016
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