Optical absorption spectra and monomer interaction in polymers: Investigation of exciton coupling in DNA hairpins

A. L. Burin; J. A. Dickman; D. B. Uskov; C. F.F. Hebbard; G. C. Schatz

doi:10.1063/1.2977727

Optical absorption spectra and monomer interaction in polymers: Investigation of exciton coupling in DNA hairpins

A. L. Burin, J. A. Dickman, D. B. Uskov, C. F.F. Hebbard, G. C. Schatz

Chemistry

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9 Scopus citations

Abstract

We investigate the effect of exciton coupling on the optical absorption spectra of polymer molecules under conditions of strong inhomogeneous broadening. It is shown that the dependence of the maximum in the rescaled absorption spectrum on the number of monomers is determined by their resonant exciton coupling and is insensitive to inhomogeneous broadening. Thus the absorption spectrum can be used to determine optical interactions between monomers. Using our theory and semiempirical calculations we determine exciton coupling between adjacent AT pairs in DNA to be 0.04 eV and discuss exciton localization in DNA hairpins composed of AT pairs.

Original language	English (US)
Article number	091102
Journal	Journal of Chemical Physics
Volume	129
Issue number	9
DOIs	https://doi.org/10.1063/1.2977727
State	Published - 2008

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.2977727

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title = "Optical absorption spectra and monomer interaction in polymers: Investigation of exciton coupling in DNA hairpins",

abstract = "We investigate the effect of exciton coupling on the optical absorption spectra of polymer molecules under conditions of strong inhomogeneous broadening. It is shown that the dependence of the maximum in the rescaled absorption spectrum on the number of monomers is determined by their resonant exciton coupling and is insensitive to inhomogeneous broadening. Thus the absorption spectrum can be used to determine optical interactions between monomers. Using our theory and semiempirical calculations we determine exciton coupling between adjacent AT pairs in DNA to be 0.04 eV and discuss exciton localization in DNA hairpins composed of AT pairs.",

author = "Burin, {A. L.} and Dickman, {J. A.} and Uskov, {D. B.} and Hebbard, {C. F.F.} and Schatz, {G. C.}",

note = "Funding Information: This work is supported by the NSF CRC Program, Grant No. 0628092. J.D. and C.H. also acknowledge the support of the Lurcy Fund, and C.H. acknowledges the support of the Newcomb and Provost Funds of Tulane University. The authors are grateful to Fred Lewis for useful stimulating discussions and sharing his experimental data with us, and Scott Knowles, Balamurugan Desinghu, Michael Armbruster, Amy Finch, and Heiko Jacobsen for their contribution to our computations.",

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doi = "10.1063/1.2977727",

language = "English (US)",

volume = "129",

journal = "Journal of Chemical Physics",

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TY - JOUR

T1 - Optical absorption spectra and monomer interaction in polymers

T2 - Investigation of exciton coupling in DNA hairpins

AU - Burin, A. L.

AU - Dickman, J. A.

AU - Uskov, D. B.

AU - Hebbard, C. F.F.

AU - Schatz, G. C.

N1 - Funding Information: This work is supported by the NSF CRC Program, Grant No. 0628092. J.D. and C.H. also acknowledge the support of the Lurcy Fund, and C.H. acknowledges the support of the Newcomb and Provost Funds of Tulane University. The authors are grateful to Fred Lewis for useful stimulating discussions and sharing his experimental data with us, and Scott Knowles, Balamurugan Desinghu, Michael Armbruster, Amy Finch, and Heiko Jacobsen for their contribution to our computations.

PY - 2008

Y1 - 2008

N2 - We investigate the effect of exciton coupling on the optical absorption spectra of polymer molecules under conditions of strong inhomogeneous broadening. It is shown that the dependence of the maximum in the rescaled absorption spectrum on the number of monomers is determined by their resonant exciton coupling and is insensitive to inhomogeneous broadening. Thus the absorption spectrum can be used to determine optical interactions between monomers. Using our theory and semiempirical calculations we determine exciton coupling between adjacent AT pairs in DNA to be 0.04 eV and discuss exciton localization in DNA hairpins composed of AT pairs.

AB - We investigate the effect of exciton coupling on the optical absorption spectra of polymer molecules under conditions of strong inhomogeneous broadening. It is shown that the dependence of the maximum in the rescaled absorption spectrum on the number of monomers is determined by their resonant exciton coupling and is insensitive to inhomogeneous broadening. Thus the absorption spectrum can be used to determine optical interactions between monomers. Using our theory and semiempirical calculations we determine exciton coupling between adjacent AT pairs in DNA to be 0.04 eV and discuss exciton localization in DNA hairpins composed of AT pairs.

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U2 - 10.1063/1.2977727

DO - 10.1063/1.2977727

M3 - Article

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SN - 0021-9606

VL - 129

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 9

M1 - 091102

ER -

Optical absorption spectra and monomer interaction in polymers: Investigation of exciton coupling in DNA hairpins

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