Molecular and crystal structure of the nonlinear optical material: 2-(N prolinol)-5-nitropyridine (PNP)

Article abstract of DOI:10.1063/1.450925

The structure r=223.23, monoclinic,

based on 930 reflections with F₀²>3.0?(F₀²)> of this compound reveals it to optimally satisfy many of the structural and symmetry restrictions required for optical second harmonic generation (SHG).The molecules are extraordinarily well aligned to optimize noncritically phase matched SHG with the amino nitrogen to nitro nitrogen charge transfer axis making an angle of 59.6 deg with the unique axis (b).The mean aromatic plane sits nearly perfectly in the (101) crystallographic plane which may be a natural cleavage surface through which normal propagation may produce noncritically phase matched SHG.Powder optical second harmonic generation measurements (λ =1.06μ; Nd-YAG laser) yield a value of 140.0x relative to powdered urea.Molecules related by a screw operation and the translation <0,0,1> are intermolecularily hydrogen bonded .The structure is essentially isostructural to the earlier reported structure of N-(4-nitrophenyl)-(L)-prolinol (NPP) which appears to possess slightly enhanced second harmonic efficiency.

Full text of DOI:10.1063/1.450925

Molecular and crystal structure of the nonlinear optical material: 2(N  

prolinol)5nitropyridine (PNP)  

R. J. Twieg and C. W. Dirk  

Citation: J. Chem. Phys. 85, 3537 (1986); doi: 10.1063/1.450925  

View online: http://dx.doi.org/10.1063/1.450925  

View Table of Contents: http://jcp.aip.org/resource/1/JCPSA6/v85/i6  

Published by the American Institute of Physics.  

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Full text of DOI:10.1063/1.450925

Molecular and crystal structure of the nonlinear optical material: 2(N
prolinol)5nitropyridine (PNP)
R. J. Twieg and C. W. Dirk
Citation: J. Chem. Phys. 85, 3537 (1986); doi: 10.1063/1.450925
View online: http://dx.doi.org/10.1063/1.450925
View Table of Contents: http://jcp.aip.org/resource/1/JCPSA6/v85/i6
Published by the American Institute of Physics.
Additional information on J. Chem. Phys.
Journal Homepage: http://jcp.aip.org/
Journal Information: http://jcp.aip.org/about/about_the_journal
Top downloads: http://jcp.aip.org/features/most_downloaded
Information for Authors: http://jcp.aip.org/authors
Downloaded 14 Mar 2013 to 142.51.1.212. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Mar 2013 to 142.51.1.212. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Mar 2013 to 142.51.1.212. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

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