Pyrrole-Based Hydrazone Organic Nonlinear Optical Crystals and Their Polymorphs

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A series of new organic nonlinear optical nitrophenylhydrazone crystals based on pyrrole with various substituents (X: -H, -CH(3), -CF(3)) on the hydrazone group (-CX = N-NH-) has been synthesized and their polymorphs have been investigated. The chromophore 2-((2-(4-nitrophenyl)hydrazono)methyl)-1H-pyrrole (HNPH) exhibits two polymorphs with large macroscopic nonlinearity, with a powder second harmonic generation activity of 420 times and 210 times that of urea at 1.9 mu m for the anisotropic polar HNPH-I with P(n) space group and the isotropic nonpolar HNPH-II polymorph with P2(1)2(1)2(1) space group, respectively. The microscopic and macroscopic nonlinearities in the crystallographic system have been analyzed theoretically using finite field calculations.
Publisher
AMER CHEMICAL SOC
Issue Date
2008-11
Language
English
Article Type
Article
Keywords

1ST HYPERPOLARIZABILITY; WAVE-GUIDES; INFRARED-ABSORPTION; MOLECULAR-CRYSTALS; CHROMOPHORES; GENERATION; POLYENE; DESIGN; DONOR; SALTS

Citation

CRYSTAL GROWTH & DESIGN, v.8, no.11, pp.4021 - 4025

ISSN
1528-7483
DOI
10.1021/cg800218u
URI
http://hdl.handle.net/10203/90813
Appears in Collection
CH-Journal Papers(저널논문)
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