Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments

Details Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments

2005-02-07

arxiv.org/abs/cond-mat/0502163v1

P.Sony and A. Shukla, Phys. Rev. B 71, 165204 (2005)

Physics

Condensed Matter

Materials Science

Revtex4, 14 pages, 8 figures (To appear in Phys. Rev. B, March 15 (2005) issue)

Scientific paper

10.1103/PhysRevB.71.165204

In a recently performed experiment Korovyanko et al [Phys. Rev. B 67, 035114 (2003)] have measured the photo-induced absorption (PA) spectrum of phenyl-disubstituted polyacetylenes (PDPA) from 1$B_{u}$ and 2$A_{g}$ excited states. In 1$B_{u}$ PA spectrum they identified two main features namely PA1 and PA2. While in the 2$A_{g}$ spectrum they identified only one feature called PA$_{g}$. In this paper we present a theoretical study of 1$B_{u}$ and 2$A_{g}$ PA spectra of oligo-PDPA's using correlated-electron Pariser-Parr-Pople (P-P-P) model and various configuration interaction (CI) methodologies. We compare the calculated spectra with the experiments, as well as with the calculated spectra of polyenes of the same conjugation lengths. Calculated spectra are in good agreement with the experiments. Based upon our calculations, we identify PA1 as the m$A_{g}$ state and PA$_{g}$ as the $nB_{u}$ state of the polymer. Regarding the PA2 feature, we present our speculations. Additionally, it is argued that the nature of excited states contributing to the $2A_{g}$-PA spectra of oligo-PDPA's is qualitatively different from those contributing to the spectra of polyenes.

Affiliated with

Also associated with

No associations

Rating

Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments 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 Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-128926