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Theoretical Study of Nonlinear Optical Properties of 'Parallel Connection' Chromophores Containing Parallel Nonconjugated D-π-A units
- Source :
- The Journal of Physical Chemistry A. 113:12295-12303
- Publication Year :
- 2009
- Publisher :
- American Chemical Society (ACS), 2009.
-
Abstract
- Chromophores containing two parallel nonconjugated D-pi-A units are effective chromophores with high hyperpolarizability and good optical transparency. It provides a method for the design and synthesis of effective chromophores. The semiempirical method ZINDO was employed to study the relationship between enhancement of the static first hyperpolarizabilities (beta0) per D-pi-A unit and the number of parallel nonconjugated D-pi-A units in a chromophore. The results show that the chromophores containing two parallel nonconjugated D-pi-A units would exhibit higher beta0 values than two times the beta0 value of the corresponding reference chromophore containing a D-pi-A unit. The chromophore containing three parallel nonconjugated D-pi-A units exhibits the highest enhancement of beta0 per D-pi-A unit, which is 10.1 times the beta0 value of the corresponding reference chromophore. However, the beta0 value of the chromophore containing four parallel nonconjugated D-pi-A units is very small, and the enhancement of beta0 value per D-pi-A unit decreases sharply, from 10.1 to 0.3, with increasing the number of parallel D-pi-A units in a chromophore from 3 to 4. It could give a useful suggestion for designing chromophores containing parallel nonconjugated D-pi-A units.
Details
- ISSN :
- 15205215 and 10895639
- Volume :
- 113
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry A
- Accession number :
- edsair.doi.dedup.....8251bfc29e681b9c0a1001eb8542b2ad