Journal article icon

Journal article

Structural information for conjugated polymers from optical modeling

Abstract:

We use a Frenkel-Holstein model of uncoupled chains in the adiabatic limit to simulate the optical spectra of the conjugated polymer ladder-type poly(para-phenylene) derivative (MeLPPP), which is a planar conjugated polymer with especially low inter-chain interactions. The theoretical calculations correctly reproduce the vibronic spectra and yield reasonable torsion angles between adjacent phenyl rings. The success of this approach indicates that, in contrast to inter-chain coupling, the stro...

Expand abstract
Publication status:
Published
Peer review status:
Peer reviewed

Actions


Access Document


Files:
Publisher copy:
10.1021/acs.jpca.8b01585

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Chemistry; Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Oxford college:
Balliol College
Role:
Author
More from this funder
Funding agency for:
Milward, J
Grant:
Radcliffe Scholarship
More from this funder
Funding agency for:
Milward, J
Grant:
Radcliffe Scholarship
Publisher:
American Chemical Society Publisher's website
Journal:
Journal of Physical Chemistry A Journal website
Volume:
122
Issue:
14
Pages:
3621–3625
Publication date:
2018-03-22
Acceptance date:
2018-03-22
DOI:
EISSN:
1520-5215
ISSN:
1089-5639
Source identifiers:
830954
Pubs id:
pubs:830954
UUID:
uuid:4e3dc657-b250-45c0-89d6-52f0d9eaeee5
Local pid:
pubs:830954
Deposit date:
2018-03-23

Terms of use


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP