Changes in Structure and Properties of Oligophenylenes under Selected External Influences
Effects induced by uniaxial compression and external electric field in P2P to P6P oligophenylene molecules are investigated by versatile calculations. In this way some useful relations between particular values of compression or field directions and intensities to specific changes in molecular structure and properties have been established, enabling estimation of possibilities for tuning the materials characteristics and their spectroscopic analyses. The results are compared to the existing experimental data and similar calculations, and some consequences for applications of oligophenylenes-based materials are discussed.
Dragan P. Uskoković, Slobodan K. Milonjić and Dejan I. Raković
I. Radisavljević et al., "Changes in Structure and Properties of Oligophenylenes under Selected External Influences", Materials Science Forum, Vol. 555, pp. 509-514, 2007