Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction

Basuroy, Krishnayan; Chen, Yang; Sarkar, Sounak; Benedict, Jason; Coppens, Philip

doi:10.1063/1.4978240

Title: Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction

Abstract

The structural changes accompanying the excitation of the luminescent dibromobenzene derivative, 1,4-dibromo-2,5-bis(octyloxy)benzene, have been measured by in-house monochromatic time-resolved (TR) diffraction at 90 K. Results show an increment of the very short intermolecular Br•••Br contact distance from 3.290 Å to 3.380 Å. These calculations show the Br…Br interaction to be strongly repulsive in both the Ground and Excited states but significantly relaxed by the lengthening of the contact distance on excitation. The stability of the crystals is attributed to the many weak C-H···Br and C-H···π intermolecular interactions. Our study described is the first practical application of In-House Time-Resolved diffraction, made possible by the continuing increase in the brightness of X-ray sources and the sensitivity of our detectors.

Authors:

Basuroy, Krishnayan ^[1]; Chen, Yang ^[1]; Sarkar, Sounak ^[1]; Benedict, Jason ^[1]; Coppens, Philip ^[1]

State Univ. of New York (SUNY), Buffalo, NY (United States). Dept. of Chemistry

Publication Date:: 2017-03-09

Research Org.:: State Univ. of New York (SUNY), Buffalo, NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1393450

Grant/Contract Number:: FG02-02ER15372

Resource Type:: Accepted Manuscript

Journal Name:: Structural Dynamics

Additional Journal Information:: Journal Volume: 4; Journal Issue: 2; Journal ID: ISSN 2329-7778

Publisher:: American Crystallographic Association/AIP

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Basuroy, Krishnayan, Chen, Yang, Sarkar, Sounak, Benedict, Jason, and Coppens, Philip. Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4978240.

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                    Basuroy, Krishnayan, Chen, Yang, Sarkar, Sounak, Benedict, Jason, & Coppens, Philip. Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction.  United States.  https://doi.org/10.1063/1.4978240

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                    Basuroy, Krishnayan, Chen, Yang, Sarkar, Sounak, Benedict, Jason, and Coppens, Philip. Thu .  
"Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction".  United States.  https://doi.org/10.1063/1.4978240.  https://www.osti.gov/servlets/purl/1393450.

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@article{osti_1393450,

  title        = {Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction},

  author       = {Basuroy, Krishnayan and Chen, Yang and Sarkar, Sounak and Benedict, Jason and Coppens, Philip},

  abstractNote = {The structural changes accompanying the excitation of the luminescent dibromobenzene derivative, 1,4-dibromo-2,5-bis(octyloxy)benzene, have been measured by in-house monochromatic time-resolved (TR) diffraction at 90 K. Results show an increment of the very short intermolecular Br•••Br contact distance from 3.290 Å to 3.380 Å. These calculations show the Br…Br interaction to be strongly repulsive in both the Ground and Excited states but significantly relaxed by the lengthening of the contact distance on excitation. The stability of the crystals is attributed to the many weak C-H···Br and C-H···π intermolecular interactions. Our study described is the first practical application of In-House Time-Resolved diffraction, made possible by the continuing increase in the brightness of X-ray sources and the sensitivity of our detectors.},

  doi          = {10.1063/1.4978240},

  journal      = {Structural Dynamics},

  number       = 2,

  volume       = 4,

  place        = {United States},

  year         = {2017},

  month        = {3}

}

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Title: Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction

Abstract

Citation Formats

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journal, August 2014

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journal, January 1995

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journal, January 2011

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journal, November 2005

Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006

On the assessment of time-resolved diffraction results
journal, May 2014

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On the Analysis of Reversible Light-Induced Changes in Molecular Crystals
journal, April 1998

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Shedding Light on the Photochemistry of Coinage-Metal Phosphorescent Materials: A Time-Resolved Laue Diffraction Study of an Ag ^I –Cu ^I Tetranuclear Complex
journal, September 2014

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journal, November 1989

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journal, January 1987

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