Two Regioisomeric Ladder Polymers with a Fully Conjugated or Cross-Conjugated Polyacene-Type Skeleton

Marvin T. Unruh; Guanzhao Wen; Mischa Bonn; Silvio Osella; Hai I. Wang; Ullrich Scherf

doi:10.1021/acs.macromol.4c00728

Two Regioisomeric Ladder Polymers with a Fully Conjugated or Cross-Conjugated Polyacene-Type Skeleton

Marvin T. Unruh, Guanzhao Wen, Mischa Bonn, Silvio Osella, Hai I. Wang^*, Ullrich Scherf^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

Two regioisomeric ladder polymers with a fully conjugated or cross-conjugated polyacene-type skeleton have been made by combining transition-metal-catalyzed aryl-aryl coupling and dehydrating post-polymerization cyclization. The regioisomeric variation results from a simple change in the monomers’ substitution pattern and gives rise to a fully conjugated PAL 1 and a cross-conjugated PAL 2. The fully soluble ladder polymers represent small-width graphene nanoribbons (GNRs) that can be investigated on the single-chain level. Density functional theory (DFT) calculations show different geometrical atomic arrangements along the fully annelated main chains and an appreciably lower HOMO-LUMO gap for the fully conjugated PAL 1. PAL 1 likewise exhibits increased on-chain charge carrier mobilities compared with PAL 2, as derived from ultrafast photoconductivity measurements using optical pump-terahertz (THz) probe (OPTP) spectroscopy.

Original language	English
Pages (from-to)	6390-6395
Number of pages	6
Journal	Macromolecules
Volume	57
Issue number	13
DOIs	https://doi.org/10.1021/acs.macromol.4c00728
Publication status	Published - 9 Jul 2024

Bibliographical note

Publisher Copyright:
© 2024 The Authors. Published by American Chemical Society.

Funding

G.W., M.B., and H.I.W. acknowledge the funding from the Max Planck Society. H.I.W. and M.B. acknowledges the DFG funding support via the project 514772236. G.W. acknowledges fellowship support from the Chinese Scholarship Council (CSC). S.O. thanks the National Science Centre, Poland (grant no. UMO/2020/39/I/ST4/01446 and UMO-2023/50/E/ST4/00197) and the "Excellence InitiativeyResearch University" (IDUB) Program, Action I.3.3"Establishment of the Institute for Advanced Studies (IAS)" for funding (grant no. UW/IDUB/2020/25). The computation was carried out with the support of the Interdisciplinary Center for Mathematical and Computational Modeling at the University of Warsaw (ICM UW) under grants no. G83-28 and GB80-24.

Funders	Funder number
Max-Planck-Gesellschaft
China Scholarship Council
Deutsche Forschungsgemeinschaft	514772236
Institute for Advanced Studies, University of Bristol	G83-28, GB80-24, UW/IDUB/2020/25
Narodowe Centrum Nauki	UMO-2023/50/E/ST4/00197, UMO/2020/39/I/ST4/01446

Access to Document

10.1021/acs.macromol.4c00728Licence: CC BY

unruh-et-al-2024-two-regioisomeric-ladder-polymers-with-a-fully-conjugated-or-cross-conjugated-polyacene-type-skeletonFinal published version, 2.27 MBLicence: CC BY

Cite this

@article{eac078136f5b40d7b9ebb87936d41334,

title = "Two Regioisomeric Ladder Polymers with a Fully Conjugated or Cross-Conjugated Polyacene-Type Skeleton",

abstract = "Two regioisomeric ladder polymers with a fully conjugated or cross-conjugated polyacene-type skeleton have been made by combining transition-metal-catalyzed aryl-aryl coupling and dehydrating post-polymerization cyclization. The regioisomeric variation results from a simple change in the monomers{\textquoteright} substitution pattern and gives rise to a fully conjugated PAL 1 and a cross-conjugated PAL 2. The fully soluble ladder polymers represent small-width graphene nanoribbons (GNRs) that can be investigated on the single-chain level. Density functional theory (DFT) calculations show different geometrical atomic arrangements along the fully annelated main chains and an appreciably lower HOMO-LUMO gap for the fully conjugated PAL 1. PAL 1 likewise exhibits increased on-chain charge carrier mobilities compared with PAL 2, as derived from ultrafast photoconductivity measurements using optical pump-terahertz (THz) probe (OPTP) spectroscopy.",

author = "Unruh, {Marvin T.} and Guanzhao Wen and Mischa Bonn and Silvio Osella and Wang, {Hai I.} and Ullrich Scherf",

note = "Publisher Copyright: {\textcopyright} 2024 The Authors. Published by American Chemical Society.",

year = "2024",

month = jul,

day = "9",

doi = "10.1021/acs.macromol.4c00728",

language = "English",

volume = "57",

pages = "6390--6395",

journal = "Macromolecules",

issn = "0024-9297",

publisher = "American Chemical Society",

number = "13",

}

TY - JOUR

T1 - Two Regioisomeric Ladder Polymers with a Fully Conjugated or Cross-Conjugated Polyacene-Type Skeleton

AU - Unruh, Marvin T.

AU - Wen, Guanzhao

AU - Bonn, Mischa

AU - Osella, Silvio

AU - Wang, Hai I.

AU - Scherf, Ullrich

PY - 2024/7/9

Y1 - 2024/7/9

N2 - Two regioisomeric ladder polymers with a fully conjugated or cross-conjugated polyacene-type skeleton have been made by combining transition-metal-catalyzed aryl-aryl coupling and dehydrating post-polymerization cyclization. The regioisomeric variation results from a simple change in the monomers’ substitution pattern and gives rise to a fully conjugated PAL 1 and a cross-conjugated PAL 2. The fully soluble ladder polymers represent small-width graphene nanoribbons (GNRs) that can be investigated on the single-chain level. Density functional theory (DFT) calculations show different geometrical atomic arrangements along the fully annelated main chains and an appreciably lower HOMO-LUMO gap for the fully conjugated PAL 1. PAL 1 likewise exhibits increased on-chain charge carrier mobilities compared with PAL 2, as derived from ultrafast photoconductivity measurements using optical pump-terahertz (THz) probe (OPTP) spectroscopy.

AB - Two regioisomeric ladder polymers with a fully conjugated or cross-conjugated polyacene-type skeleton have been made by combining transition-metal-catalyzed aryl-aryl coupling and dehydrating post-polymerization cyclization. The regioisomeric variation results from a simple change in the monomers’ substitution pattern and gives rise to a fully conjugated PAL 1 and a cross-conjugated PAL 2. The fully soluble ladder polymers represent small-width graphene nanoribbons (GNRs) that can be investigated on the single-chain level. Density functional theory (DFT) calculations show different geometrical atomic arrangements along the fully annelated main chains and an appreciably lower HOMO-LUMO gap for the fully conjugated PAL 1. PAL 1 likewise exhibits increased on-chain charge carrier mobilities compared with PAL 2, as derived from ultrafast photoconductivity measurements using optical pump-terahertz (THz) probe (OPTP) spectroscopy.

UR - http://www.scopus.com/inward/record.url?scp=85197546420&partnerID=8YFLogxK

U2 - 10.1021/acs.macromol.4c00728

DO - 10.1021/acs.macromol.4c00728

M3 - Article

AN - SCOPUS:85197546420

SN - 0024-9297

VL - 57

SP - 6390

EP - 6395

JO - Macromolecules

JF - Macromolecules

IS - 13

ER -

Two Regioisomeric Ladder Polymers with a Fully Conjugated or Cross-Conjugated Polyacene-Type Skeleton

Abstract

Bibliographical note

Funding

Access to Document

Other files and links

Fingerprint

Cite this