Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory

Yasir Saeed; Kui Zhao; Nirpendra Singh; Ruipeng Li; John Edward Anthony; Aram Amassian; Udo Schwingenschlögl

doi:10.1016/j.cplett.2013.08.023

Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory

Yasir Saeed, Kui Zhao, Nirpendra Singh, Ruipeng Li, John Edward Anthony, Aram Amassian, Udo Schwingenschlögl

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Abstract

The influence of solubilizing substitutional groups on the electronic structure of prototypical functionalized pentacene molecules and crystals is studied by a combined experimental and theoretical approach. We experimentally establish characteristic effects of substituents on the electronic structure and relate those to theoretical optical spectra in order to explain the experimental results and provide a comprehensive picture of the substitution effects. Bands associated to C/Si atoms connecting the functional side group to the pentacene in the (6,13)-positions are the main contributors to the optical transitions. The amplitude of the redshift between the crystals and molecules provides insight in the packing structure. © 2013 Elsevier B.V. All rights reserved.

Original language	English (US)
Pages (from-to)	95-100
Number of pages	6
Journal	Chemical Physics Letters
Volume	585
DOIs	https://doi.org/10.1016/j.cplett.2013.08.023
State	Published - Oct 2013

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.cplett.2013.08.023

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@article{4c2fd0ed8e6844dbbb8fda679c06b61e,

title = "Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory",

abstract = "The influence of solubilizing substitutional groups on the electronic structure of prototypical functionalized pentacene molecules and crystals is studied by a combined experimental and theoretical approach. We experimentally establish characteristic effects of substituents on the electronic structure and relate those to theoretical optical spectra in order to explain the experimental results and provide a comprehensive picture of the substitution effects. Bands associated to C/Si atoms connecting the functional side group to the pentacene in the (6,13)-positions are the main contributors to the optical transitions. The amplitude of the redshift between the crystals and molecules provides insight in the packing structure. {\textcopyright} 2013 Elsevier B.V. All rights reserved.",

author = "Yasir Saeed and Kui Zhao and Nirpendra Singh and Ruipeng Li and Anthony, {John Edward} and Aram Amassian and Udo Schwingenschl{\"o}gl",

note = "KAUST Repository Item: Exported on 2020-10-01",

year = "2013",

month = oct,

doi = "10.1016/j.cplett.2013.08.023",

language = "English (US)",

volume = "585",

pages = "95--100",

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TY - JOUR

T1 - Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory

AU - Saeed, Yasir

AU - Zhao, Kui

AU - Singh, Nirpendra

AU - Li, Ruipeng

AU - Anthony, John Edward

AU - Amassian, Aram

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2013/10

Y1 - 2013/10

N2 - The influence of solubilizing substitutional groups on the electronic structure of prototypical functionalized pentacene molecules and crystals is studied by a combined experimental and theoretical approach. We experimentally establish characteristic effects of substituents on the electronic structure and relate those to theoretical optical spectra in order to explain the experimental results and provide a comprehensive picture of the substitution effects. Bands associated to C/Si atoms connecting the functional side group to the pentacene in the (6,13)-positions are the main contributors to the optical transitions. The amplitude of the redshift between the crystals and molecules provides insight in the packing structure. © 2013 Elsevier B.V. All rights reserved.

AB - The influence of solubilizing substitutional groups on the electronic structure of prototypical functionalized pentacene molecules and crystals is studied by a combined experimental and theoretical approach. We experimentally establish characteristic effects of substituents on the electronic structure and relate those to theoretical optical spectra in order to explain the experimental results and provide a comprehensive picture of the substitution effects. Bands associated to C/Si atoms connecting the functional side group to the pentacene in the (6,13)-positions are the main contributors to the optical transitions. The amplitude of the redshift between the crystals and molecules provides insight in the packing structure. © 2013 Elsevier B.V. All rights reserved.

UR - http://hdl.handle.net/10754/563026

UR - http://arxiv.org/abs/arXiv:1311.3415v1

UR - http://www.scopus.com/inward/record.url?scp=84885669626&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2013.08.023

DO - 10.1016/j.cplett.2013.08.023

M3 - Article

SN - 0009-2614

VL - 585

SP - 95

EP - 100

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Influence of substitution on the optical properties of functionalized pentacene monomers and crystals: Experiment and theory

Abstract

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