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Title: Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO

Abstract

Here, the solution-phase structure and electronic relaxation dynamics of zinc bis-8-hydroxyquinoline [Zn(8HQ) 2] in dimethyl sulfoxide (DMSO) were examined using a broad array of spectroscopic techniques, complimented by ab initio calculations of molecular structure. The ground-state structure was determined using extended X-ray absorption fine structure (EXAFS) data collected on the Zn Kedge and diffusion ordered spectroscopy (DOSY) NMR The complex was found to be monomeric and octahedral, with two bidentate 8-hydroxyquinolate ligands and two DMSO molecules coordinated to the zinc through oxygen atoms. Electronic relaxation dynamics were examined with ultrafast transient absorption spectroscopy and complementary density functional calculations. Electronic relaxation was observed to proceed through both singlet and triplet pathways. This solution-phase data provides a deeper physical understanding of the behavior of this molecule, which has a variety of uses such as sensing, OLEDs, and biological applications.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1];  [1];  [1];  [1];  [2];  [3]
  1. DePaul Univ., Chicago, IL (United States). Dept. of Chemistry and Biochemistry
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  3. State Univ. of New York (SUNY) The College of Brockport, Brockport, NY (United States). Dept. of Chemistry and Biochemistry
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Science Foundation (NSF); Univ. of Chicago, Chicago, IL (United States). Materials Research Science & Engineering Center (MRSEC)
OSTI Identifier:
1461295
Grant/Contract Number:  
AC02-06CH11357; DMR-1420709
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 122; Journal Issue: 11; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Zinc 8-hydroxyquinoline; Transient Absorption Spectroscopy; EXAFS; Density Functional Theory; DOSY NMR

Citation Formats

Grice, Kyle A., Griffin, Graham B., Cao, Phoebus Sun, Saucedo, Cesar, Niyazi, Aeshah H., Aldakheel, Fatimah A., Sterbinsky, George E., and LeSuer, Robert J. Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO. United States: N. p., 2018. Web. doi:10.1021/acs.jpca.7b12632.
Grice, Kyle A., Griffin, Graham B., Cao, Phoebus Sun, Saucedo, Cesar, Niyazi, Aeshah H., Aldakheel, Fatimah A., Sterbinsky, George E., & LeSuer, Robert J. Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO. United States. doi:10.1021/acs.jpca.7b12632.
Grice, Kyle A., Griffin, Graham B., Cao, Phoebus Sun, Saucedo, Cesar, Niyazi, Aeshah H., Aldakheel, Fatimah A., Sterbinsky, George E., and LeSuer, Robert J. Tue . "Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO". United States. doi:10.1021/acs.jpca.7b12632.
@article{osti_1461295,
title = {Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO},
author = {Grice, Kyle A. and Griffin, Graham B. and Cao, Phoebus Sun and Saucedo, Cesar and Niyazi, Aeshah H. and Aldakheel, Fatimah A. and Sterbinsky, George E. and LeSuer, Robert J.},
abstractNote = {Here, the solution-phase structure and electronic relaxation dynamics of zinc bis-8-hydroxyquinoline [Zn(8HQ)2] in dimethyl sulfoxide (DMSO) were examined using a broad array of spectroscopic techniques, complimented by ab initio calculations of molecular structure. The ground-state structure was determined using extended X-ray absorption fine structure (EXAFS) data collected on the Zn Kedge and diffusion ordered spectroscopy (DOSY) NMR The complex was found to be monomeric and octahedral, with two bidentate 8-hydroxyquinolate ligands and two DMSO molecules coordinated to the zinc through oxygen atoms. Electronic relaxation dynamics were examined with ultrafast transient absorption spectroscopy and complementary density functional calculations. Electronic relaxation was observed to proceed through both singlet and triplet pathways. This solution-phase data provides a deeper physical understanding of the behavior of this molecule, which has a variety of uses such as sensing, OLEDs, and biological applications.},
doi = {10.1021/acs.jpca.7b12632},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 11,
volume = 122,
place = {United States},
year = {Tue Mar 06 00:00:00 EST 2018},
month = {Tue Mar 06 00:00:00 EST 2018}
}

Journal Article:
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