Electroabsorption spectra of linear porphyrin arrays – a model study

Stradomska, A. and Petelenz, P. (2006) Electroabsorption spectra of linear porphyrin arrays – a model study. Molecular Physics, 104(13-14), pp. 2063-2071. (doi: 10.1080/00268970600655485)

Abstract

A model Hamiltonian describing the mixing between the Frenkel and charge-transfer (CT) excitations of a set of molecules is applied for theoretical interpretation of the absorption and electroabsorption (EA) spectra of finite linear arrays of zinc porphyrin monomeric units. The model, which has previously proved successful for molecular crystals, is empirically parametrized by fitting the experimental spectra of small oligomers, and subsequently applied to longer linear chains. Good semiquantitative agreement with experiment is attained. The qualitative conclusions parallel those obtained in the past for molecular crystals; for zinc porphyrin oligomers they were recently reconstituted by quantum chemical calculations of other authors. ?Dedicated to Professor Andrzej J. Sadlej on his 65th anniversary. A model Hamiltonian describing the mixing between the Frenkel and charge-transfer (CT) excitations of a set of molecules is applied for theoretical interpretation of the absorption and electroabsorption (EA) spectra of finite linear arrays of zinc porphyrin monomeric units. The model, which has previously proved successful for molecular crystals, is empirically parametrized by fitting the experimental spectra of small oligomers, and subsequently applied to longer linear chains. Good semiquantitative agreement with experiment is attained. The qualitative conclusions parallel those obtained in the past for molecular crystals; for zinc porphyrin oligomers they were recently reconstituted by quantum chemical calculations of other authors. ?Dedicated to Professor Andrzej J. Sadlej on his 65th anniversary.

• Item Type: Articles
• Keywords: CT states,Frenkel excitons,electroabsorption,excitons,molecular aggregates,porphyrins
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Stradomska-Szymczak, Dr Anna
• Authors: Stradomska, A., and Petelenz, P.
• Subjects: Q Science > QC Physics; Q Science > QD Chemistry
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Molecular Physics
• Publisher: Taylor and Francis
• ISSN: 0026-8976
• ISSN (Online): 1362-3028