Theory of two-photon absorption in poly(diphenyl) polyacetylenes

Details Theory of two-photon absorption in poly(diphenyl) polyacetylenes Theory of two-photon absorption in poly(diphenyl) polyacetylenes

2004-02-21

arxiv.org/abs/cond-mat/0402542v1

Chem. Phys. 300, 177 (2004)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

24 pages, 9 figures (included), to appear in Chemical Physics

Scientific paper

10.1016/j.chemphys.2004.02.004

In this paper, we present a theoretical study of the nonlinear optical response of the newly discovered conjugated polymer poly(diphenyl)polyacetylene (PDPA). In particular, we compute the third-order nonlinear susceptibility corresponding to two-photon absorption process in PDPA using: (a) independent-particle H\"uckel model, and (b) using the correlated-electron Pariser-Parr-Pople (P-P-P) model coupled with various configuration-interaction methodologies such as the singles-configuration-interaction (SCI), the multi-reference-singles-doubles CI (MRSDCI), and the quadruples-CI (QCI) method. At all levels of theory, the polymer is found to exhibit highly anisotropic nonlinear optical response, distributed over two distinct energy scales. The low-energy response is predominantly polarized in the conjugation direction, and can be explained in terms of chain-based orbitals. The high-energy response of the polymer is found to be polarized perpendicular to the conjugation direction, and can be explained in terms of orbitals based on the side phenylene rings. Moreover, the intensity of the nonlinear optical response is also enhanced as compared to the corresponding polyenes, and can be understood in terms of reduced optical gap.

Affiliated with

Also associated with

No associations

Rating

Theory of two-photon absorption in poly(diphenyl) polyacetylenes does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Theory of two-photon absorption in poly(diphenyl) polyacetylenes, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Theory of two-photon absorption in poly(diphenyl) polyacetylenes will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-221409