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X-Ray Diffraction Analysis of NLO Crystals: Traditional Applications and More New OpportunitiesSingle crystal X-ray diffraction analysis is one of the more important methods for the molecular and crystal structure determination of matter and therefore it has a great importance in material science including design and engineering of different compounds with non-linear optical (NLO) properties. It was shown in our previous publications that this method provides unique information about molecular structure of NLO compounds, their crystal symmetry and crystal packing arrays, molecular conformation and geometries and many other structural and electronic characteristics that are important for understanding the nature of NLO properties of solids. A very new application of the X-ray diffraction method is related to analysis of the electron density distribution p(r) in crystals and some of its characteristics (atomic and group charges, dipole and higher multipole moments, etc.), that may be obtained directly form the diffraction measurements. In the present work, we will discuss our preliminary low temperature high-resolution X-ray data for the m-nitroaniline (mNA) single crystal (VI). This is one of the "classical" organic NLO materials and electron density distribution analysis in this simple compound has a great scientific interest.
Document ID
20000032280
Acquisition Source
Goddard Space Flight Center
Document Type
Conference Paper
Authors
Antipin, Mikhail Yu.
(New Mexico Highlands Univ. Las Vegas,NM United States)
Clark, Ronald D.
(New Mexico Highlands Univ. Las Vegas,NM United States)
Nesterov, Vladimir N.
(Academy of Sciences (USSR) Moscow, USSR)
Date Acquired
August 19, 2013
Publication Date
February 22, 1998
Publication Information
Publication: NASA University Research Centers Technical Advances in Aeronautics, Space Sciences and Technology, Earth Systems Sciences, Global Hydrology, and Education
Volume: 2 and 3
Subject Category
Solid-State Physics
Report/Patent Number
98URC039
Funding Number(s)
CONTRACT_GRANT: NAG5-5121
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.
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