Abstract
Molecular and crystal structures of three compounds with electron donor-conjugation unit- electron acceptor framework are reported where the conjugation unit is formally a quinonoid ring. Semiempirical quantum chemical calculations indicate large hyperpolarizabilities in these push-pull molecules. Since all the crystal structures are found to belong to centrosymmetric space groups, modifications are necessary for quadratic nonlinear optical applications.
Original language | English |
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Title of host publication | Science of Crystal Structures |
Subtitle of host publication | Highlights in Crystallography |
Publisher | Springer International Publishing |
Pages | 205-211 |
Number of pages | 7 |
ISBN (Electronic) | 9783319198279 |
ISBN (Print) | 9783319198262 |
DOIs | |
State | Published - 9 Sep 2015 |
Bibliographical note
Publisher Copyright:© Springer International Publishing Switzerland 2015. All rights reserved.
Keywords
- Crystal structures
- Hyperpolarizability
- Nonlinear optics
- Push-pull quinonoids