Structure and Spectrum of Poly-Porphyrin

Michael Rohlfing
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Michael Rohlfing: Universität Münster, Institut für Festkörpertheorie

A chapter in High Performance Computing in Science and Engineering ’03, 2003, pp 117-124 from Springer

Abstract: Summary We discuss the structural and spectroscopic properties of porphyrin-derived polymers within an ab-initio framework. The polymer is characterized by small effective masses of the relevant electronic bands, accompanied by significant electron-hole interaction. This results in a small fundamental band gap and strong optical absorption in the infrared.

Keywords: Conjugation Length; Porphyrin Molecule; Small Effective Mass; Strong Optical Absorption; LUMO State (search for similar items in EconPapers)
Date: 2003
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-55876-4_9

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DOI: 10.1007/978-3-642-55876-4_9

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