Optical Nonlinearities and Molecular Conformations in Thiophene-Based Hydrazone Crystals

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We have investigated a series of thiophene- and bithiophene-based hydrazone crystals for second-order nonlinear optical applications. The investigated hydrazone crystals exhibit a large nonresonant second-harmonic generation efficiency about 2 orders of magnitude larger than urea. The T-NPH ((thiophene-2-carbaldehyde)-4-nitrophenylhydrazone) crystals having Pn space-group symmetry consist of two T-NPH molecules exhibiting a different conformation influenced by intermolecular interactions, which considerably affects their optical nonlinearities, We have examined the variation of microscopic and macroscopic nonlinearities with different Molecular conformations in the T-NPH crystalline system by finite-field and density functional theory calculations.
Publisher
AMER CHEMICAL SOC
Issue Date
2009-08
Language
English
Article Type
Article
Keywords

CONFIGURATIONALLY LOCKED POLYENE; INTERMOLECULAR INTERACTIONS; INFRARED-ABSORPTION; SINGLE-CRYSTALS; CHROMOPHORES; HYPERPOLARIZABILITIES; 2-METHYL-4-NITROANILINE; 4-NITROPHENYLHYDRAZONES; DERIVATIVES; TECHNOLOGY

Citation

JOURNAL OF PHYSICAL CHEMISTRY C, v.113, no.34, pp.15405 - 15411

ISSN
1932-7447
DOI
10.1021/jp9047488
URI
http://hdl.handle.net/10203/98083
Appears in Collection
CH-Journal Papers(저널논문)
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