Derivatives of 1,3,5-tris-pyrazolyl-benzene (TPB) have been studied by density-functional and semi-empirical methods to assess their potential as building blocks for discotic liquid crystals and their tunability by functionalisation of the side chains. Structural and vibrational data provide evidence that the investigated TPB derivatives exhibit properties which favour the desired columnar stacking and the tuning of the side chains. The analysis of the electronic structure data shows that the dipole moment of these compounds also assists in the formation of columnar phases.
|Number of pages||5|
|Journal||Journal of Luminescence|
|Publication status||Published - 2004 Jun|
|Event||Proceedings of the Fourtheenth International Conference - Christchurch, New Zealand|
Duration: 2003 Aug 3 → 2003 Aug 8
Bibliographical noteFunding Information:
The authors acknowledge funding by the Deutsche Forschungsgemeinschaft via the graduate colleges “Accumol” and “Heterocyclen” and by the joint ProBral project of CAPES (Brazil) and DAAD (Germany).
All Science Journal Classification (ASJC) codes
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics