Theoretical design for organic nonlinear optical materials

Shin Ichi Ohnishi, Yuuichi Orimoto, Feng Long Gu, Jacek Korchowiec, Yuriko Aoki

Research output: Contribution to conferencePaper

Abstract

We developed the Elongation-FF method incorporating Finite-field approach into the theoretical synthesis method of aperiodic polymers (Elongation method) for polymer NLO materials design. This method was applied to polydiacetylene (PDA) derivatives to examine the substituent effects. As the substituted systems, we adopted three models, that is, D-(-CH=CH-CEC-)n-CH=CAH, (-CD=CA-CEC-CA=CD-)n, (-CD=CD-CEC-CA=CA-)n. As a result, it is shown that the last model exhibits much higher NLO properties than the other models. Furthermore, we examined the relationship between hydrogen bond interactions and second hyperpolarizability (β) to design molecular crystal NLO materials. Through-space/bond interaction analysis showed that the intermolecular hydrogen bond decreases β value of urea cluster.

Original languageEnglish
Number of pages1
Publication statusPublished - Dec 1 2005
Event54th SPSJ Annual Meeting 2005 - Yokohama, Japan
Duration: May 25 2005May 27 2005

Other

Other54th SPSJ Annual Meeting 2005
CountryJapan
CityYokohama
Period5/25/055/27/05

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Optical materials
Elongation
Hydrogen bonds
Molecular crystals
Polymers
Urea
Derivatives

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Ohnishi, S. I., Orimoto, Y., Gu, F. L., Korchowiec, J., & Aoki, Y. (2005). Theoretical design for organic nonlinear optical materials. Paper presented at 54th SPSJ Annual Meeting 2005, Yokohama, Japan.

Theoretical design for organic nonlinear optical materials. / Ohnishi, Shin Ichi; Orimoto, Yuuichi; Gu, Feng Long; Korchowiec, Jacek; Aoki, Yuriko.

2005. Paper presented at 54th SPSJ Annual Meeting 2005, Yokohama, Japan.

Research output: Contribution to conferencePaper

Ohnishi, SI, Orimoto, Y, Gu, FL, Korchowiec, J & Aoki, Y 2005, 'Theoretical design for organic nonlinear optical materials', Paper presented at 54th SPSJ Annual Meeting 2005, Yokohama, Japan, 5/25/05 - 5/27/05.
Ohnishi SI, Orimoto Y, Gu FL, Korchowiec J, Aoki Y. Theoretical design for organic nonlinear optical materials. 2005. Paper presented at 54th SPSJ Annual Meeting 2005, Yokohama, Japan.
Ohnishi, Shin Ichi ; Orimoto, Yuuichi ; Gu, Feng Long ; Korchowiec, Jacek ; Aoki, Yuriko. / Theoretical design for organic nonlinear optical materials. Paper presented at 54th SPSJ Annual Meeting 2005, Yokohama, Japan.1 p.
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