Photophysics of phenyl-substituted polyacetylenes, theory

Alok Shukla; Haranath Ghosh; Sumit Mazumdar

doi:10.1016/S0379-6779(00)00521-X

Photophysics of phenyl-substituted polyacetylenes, theory

Alok Shukla
, Haranath Ghosh
, Sumit Mazumdar

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

32 Scopus citations

Abstract

We present a theoretical study of the electronic structures of poly-phenylacetylene (PPA) and poly-diphenylacetylene (PDPA). Strong photoluminescence (PL) in PDPA's is a consequence of the occurrence of the 2A_g two-photon state above the optical 1B_u, in spite of the polyene backbone. This reversed energy ordering (as compared to linear polyenes and trans-polyacetylene, t-PA) is a signature of reduced effective electron correlations in PPA and PDPA. The optical gaps of the substituted materials are smaller than polyenes of the same chain length.

Original language	English (US)
Pages (from-to)	87-90
Number of pages	4
Journal	Synthetic Metals
Volume	116
Issue number	1-3
DOIs	https://doi.org/10.1016/S0379-6779(00)00521-X
State	Published - Jan 1 2001

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/S0379-6779(00)00521-X

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title = "Photophysics of phenyl-substituted polyacetylenes, theory",

abstract = "We present a theoretical study of the electronic structures of poly-phenylacetylene (PPA) and poly-diphenylacetylene (PDPA). Strong photoluminescence (PL) in PDPA's is a consequence of the occurrence of the 2Ag two-photon state above the optical 1Bu, in spite of the polyene backbone. This reversed energy ordering (as compared to linear polyenes and trans-polyacetylene, t-PA) is a signature of reduced effective electron correlations in PPA and PDPA. The optical gaps of the substituted materials are smaller than polyenes of the same chain length.",

author = "Alok Shukla and Haranath Ghosh and Sumit Mazumdar",

note = "Funding Information: This work was supported by the NSF-ECS and the Gonokami Co-operative Excitation Project (ERATO). ",

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T1 - Photophysics of phenyl-substituted polyacetylenes, theory

AU - Shukla, Alok

AU - Ghosh, Haranath

AU - Mazumdar, Sumit

N1 - Funding Information: This work was supported by the NSF-ECS and the Gonokami Co-operative Excitation Project (ERATO).

PY - 2001/1/1

Y1 - 2001/1/1

N2 - We present a theoretical study of the electronic structures of poly-phenylacetylene (PPA) and poly-diphenylacetylene (PDPA). Strong photoluminescence (PL) in PDPA's is a consequence of the occurrence of the 2Ag two-photon state above the optical 1Bu, in spite of the polyene backbone. This reversed energy ordering (as compared to linear polyenes and trans-polyacetylene, t-PA) is a signature of reduced effective electron correlations in PPA and PDPA. The optical gaps of the substituted materials are smaller than polyenes of the same chain length.

AB - We present a theoretical study of the electronic structures of poly-phenylacetylene (PPA) and poly-diphenylacetylene (PDPA). Strong photoluminescence (PL) in PDPA's is a consequence of the occurrence of the 2Ag two-photon state above the optical 1Bu, in spite of the polyene backbone. This reversed energy ordering (as compared to linear polyenes and trans-polyacetylene, t-PA) is a signature of reduced effective electron correlations in PPA and PDPA. The optical gaps of the substituted materials are smaller than polyenes of the same chain length.

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UR - https://www.scopus.com/pages/publications/0034824785#tab=citedBy

U2 - 10.1016/S0379-6779(00)00521-X

DO - 10.1016/S0379-6779(00)00521-X

M3 - Article

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SP - 87

EP - 90

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

Photophysics of phenyl-substituted polyacetylenes, theory

Abstract

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