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Electronic and Optical Properties of Conjugated Polymers$
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William Barford

Print publication date: 2013

Print ISBN-13: 9780199677467

Published to Oxford Scholarship Online: May 2013

DOI: 10.1093/acprof:oso/9780199677467.001.0001

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Linear polyenes and trans-polyacetylene

Linear polyenes and trans-polyacetylene

Chapter:
(p.120) 8 Linear polyenes and trans-polyacetylene
Source:
Electronic and Optical Properties of Conjugated Polymers
Author(s):

William Barford

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780199677467.003.0008

An experimental survey of the optical properties of linear polyenes and trans-polyacetylene is given, before the concepts of previous chapters are used to develop a theoretical interpretation of them. The key excited states, i.e. the 1Bu singlet and triplet, and the 2Ag singlet are discussed. DMRG calculations of the Pariser-Parr-Pople-Peierls model are used to interpret the data.

Keywords:   linear polyenes, trans-polyacetylene, optical properties, 1Bu singlet, 1Bu triplet, 2Ag singlet, DMRG calculations

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