Excimer interactions in poly(acenaphthalene) diads

G. D. Scholes; K. P. Ghiggino

doi:10.1016/0009-2614(92)85103-H

Excimer interactions in poly(acenaphthalene) diads

G. D. Scholes, K. P. Ghiggino

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

6 Scopus citations

Abstract

Excited-state semiempirical calculations of excimer interactions in model poly(acenaphthalene) diads are presented. In contrast to previous ground-state molecular modelling, significant excimer interaction was detected in both of the stereoisomers investigated. For the threo-disyndiotactic diad the excimer emission maximum is expected to be bathochromically shifted by approximately 6599 cm^-1 from the monomer emission. The shift for the threo-diisotactic diad was calculated to be 5132 cm^-1. It is concluded that nearest-neighbour excimer interactions should contribute to the complexity of poly(acenaphthalene) photophysics.

Original language	English (US)
Pages (from-to)	140-144
Number of pages	5
Journal	Chemical Physics Letters
Volume	188
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(92)85103-H
State	Published - Jan 3 1992
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(92)85103-H

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title = "Excimer interactions in poly(acenaphthalene) diads",

abstract = "Excited-state semiempirical calculations of excimer interactions in model poly(acenaphthalene) diads are presented. In contrast to previous ground-state molecular modelling, significant excimer interaction was detected in both of the stereoisomers investigated. For the threo-disyndiotactic diad the excimer emission maximum is expected to be bathochromically shifted by approximately 6599 cm-1 from the monomer emission. The shift for the threo-diisotactic diad was calculated to be 5132 cm-1. It is concluded that nearest-neighbour excimer interactions should contribute to the complexity of poly(acenaphthalene) photophysics.",

author = "Scholes, {G. D.} and Ghiggino, {K. P.}",

note = "Funding Information: The authors are grateful to Dr. G.J. Wilson for assistance with the original QCFF/PI program as well as helpful discussions. KPG acknowledges financial support from the Australian Research Council.",

year = "1992",

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doi = "10.1016/0009-2614(92)85103-H",

language = "English (US)",

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TY - JOUR

T1 - Excimer interactions in poly(acenaphthalene) diads

AU - Scholes, G. D.

AU - Ghiggino, K. P.

N1 - Funding Information: The authors are grateful to Dr. G.J. Wilson for assistance with the original QCFF/PI program as well as helpful discussions. KPG acknowledges financial support from the Australian Research Council.

PY - 1992/1/3

Y1 - 1992/1/3

N2 - Excited-state semiempirical calculations of excimer interactions in model poly(acenaphthalene) diads are presented. In contrast to previous ground-state molecular modelling, significant excimer interaction was detected in both of the stereoisomers investigated. For the threo-disyndiotactic diad the excimer emission maximum is expected to be bathochromically shifted by approximately 6599 cm-1 from the monomer emission. The shift for the threo-diisotactic diad was calculated to be 5132 cm-1. It is concluded that nearest-neighbour excimer interactions should contribute to the complexity of poly(acenaphthalene) photophysics.

AB - Excited-state semiempirical calculations of excimer interactions in model poly(acenaphthalene) diads are presented. In contrast to previous ground-state molecular modelling, significant excimer interaction was detected in both of the stereoisomers investigated. For the threo-disyndiotactic diad the excimer emission maximum is expected to be bathochromically shifted by approximately 6599 cm-1 from the monomer emission. The shift for the threo-diisotactic diad was calculated to be 5132 cm-1. It is concluded that nearest-neighbour excimer interactions should contribute to the complexity of poly(acenaphthalene) photophysics.

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DO - 10.1016/0009-2614(92)85103-H

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EP - 144

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Excimer interactions in poly(acenaphthalene) diads

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