Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative

Grace W. Githaiga; Adam W. Woodward; Alma R. Morales; Mykhailo V. Bondar; Kevin D. Belfield

doi:10.1021/acs.jpcc.5b04840

Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative

Grace W. Githaiga, Adam W. Woodward, Alma R. Morales, Mykhailo V. Bondar, Kevin D. Belfield

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8 Scopus citations

Abstract

Molecular symmetry plays an important role in the physical characteristics and spectra of a molecule. However, experimental results can sometimes be counterintuitive due to unpredictable properties of a molecule. Photophysical characterization of a centrosymmetrical indacene-1,3,5,7(2H,6H)-tetraone, or Janus dione, derivative revealed a two-photon absorption maximum closely associated with the main linear absorption band (a typically two-photon forbidden transition for molecules of high symmetry). Though observed previously in similar compounds, little explanation has been offered for this anomaly. Our investigation of a symmetrical Janus dione, including linear and nonlinear photophysical characterization along with TD-DFT calculations, provides insight regarding the origin of this phenomenon.

Original language	English (US)
Pages (from-to)	21053-21059
Number of pages	7
Journal	Journal of Physical Chemistry C
Volume	119
Issue number	36
DOIs	https://doi.org/10.1021/acs.jpcc.5b04840
State	Published - Sep 10 2015

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
General Energy
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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10.1021/acs.jpcc.5b04840

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title = "Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative",

abstract = "Molecular symmetry plays an important role in the physical characteristics and spectra of a molecule. However, experimental results can sometimes be counterintuitive due to unpredictable properties of a molecule. Photophysical characterization of a centrosymmetrical indacene-1,3,5,7(2H,6H)-tetraone, or Janus dione, derivative revealed a two-photon absorption maximum closely associated with the main linear absorption band (a typically two-photon forbidden transition for molecules of high symmetry). Though observed previously in similar compounds, little explanation has been offered for this anomaly. Our investigation of a symmetrical Janus dione, including linear and nonlinear photophysical characterization along with TD-DFT calculations, provides insight regarding the origin of this phenomenon.",

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T1 - Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative

AU - Githaiga, Grace W.

AU - Woodward, Adam W.

AU - Morales, Alma R.

AU - Bondar, Mykhailo V.

AU - Belfield, Kevin D.

PY - 2015/9/10

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AB - Molecular symmetry plays an important role in the physical characteristics and spectra of a molecule. However, experimental results can sometimes be counterintuitive due to unpredictable properties of a molecule. Photophysical characterization of a centrosymmetrical indacene-1,3,5,7(2H,6H)-tetraone, or Janus dione, derivative revealed a two-photon absorption maximum closely associated with the main linear absorption band (a typically two-photon forbidden transition for molecules of high symmetry). Though observed previously in similar compounds, little explanation has been offered for this anomaly. Our investigation of a symmetrical Janus dione, including linear and nonlinear photophysical characterization along with TD-DFT calculations, provides insight regarding the origin of this phenomenon.

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Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative

Abstract

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