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:
-
- State Univ. of New York (SUNY), Buffalo, NY (United States). Dept. of Chemistry
- Publication Date:
- 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.
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
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.
@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 = {Thu Mar 09 00:00:00 EST 2017},
month = {Thu Mar 09 00:00:00 EST 2017}
}
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